(4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine

C38H82N6 — CID 158071696

IUPAC(4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine
SMILESC.CC(C)CC1(N)CCN(C(C)C)CC1.CC(C)N1CCC(C)(N2CC[C@H](C)C2)CC1.CCC1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C14H28N2.C12H26N2.C11H24N2.CH4/c1-12(2)15-9-6-14(4,7-10-15)16-8-5-13(3)11-16;1-10(2)9-12(13)5-7-14(8-6-12)11(3)4;1-4-11(9-12)5-7-13(8-6-11)10(2)3;/h12-13H,5-11H2,1-4H3;10-11H,5-9,13H2,1-4H3;10H,4-9,12H2,1-3H3;1H4/t13-;;;/m0.../s1
InChIKeyFLWWRNMNPWWXND-JEZXJMRTSA-N
MW623.12 g/mol
LogP7.31
Rot. Bonds8

About (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine

(4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 158071696) has the molecular formula C38H82N6 and a molecular weight of 623.12 g/mol. Its IUPAC name is (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID158071696
Molecular FormulaC38H82N6
Molecular Weight623.12 g/mol
Exact Mass622.66
IUPAC Name(4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine
SMILESC.CC(C)CC1(N)CCN(C(C)C)CC1.CC(C)N1CCC(C)(N2CC[C@H](C)C2)CC1.CCC1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C14H28N2.C12H26N2.C11H24N2.CH4/c1-12(2)15-9-6-14(4,7-10-15)16-8-5-13(3)11-16;1-10(2)9-12(13)5-7-14(8-6-12)11(3)4;1-4-11(9-12)5-7-13(8-6-11)10(2)3;/h12-13H,5-11H2,1-4H3;10-11H,5-9,13H2,1-4H3;10H,4-9,12H2,1-3H3;1H4/t13-;;;/m0.../s1
InChIKeyFLWWRNMNPWWXND-JEZXJMRTSA-N
XLogP7.31
TPSA65.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.12
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine (CID 158071696) is (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine is C.CC(C)CC1(N)CCN(C(C)C)CC1.CC(C)N1CCC(C)(N2CC[C@H](C)C2)CC1.CCC1(CN)CCN(C(C)C)CC1.
What is the InChIKey of (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is FLWWRNMNPWWXND-JEZXJMRTSA-N. The full InChI is InChI=1S/C14H28N2.C12H26N2.C11H24N2.CH4/c1-12(2)15-9-6-14(4,7-10-15)16-8-5-13(3)11-16;1-10(2)9-12(13)5-7-14(8-6-12)11(3)4;1-4-11(9-12)5-7-13(8-6-11)10(2)3;/h12-13H,5-11H2,1-4H3;10-11H,5-9,13H2,1-4H3;10H,4-9,12H2,1-3H3;1H4/t13-;;;/m0.../s1.
What are the key properties of (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine?
(4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 623.12 g/mol, XLogP of 7.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-propan-2-ylpiperidin-4-yl)methanamine;methane;4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 158071696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).