3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine

C14H30N2 — CID 102906329

IUPAC3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine
SMILESCC(C)C(CN1CCC(N)C(C)C1)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)13(11(3)4)9-16-7-6-14(15)12(5)8-16/h10-14H,6-9,15H2,1-5H3
InChIKeyKHYZGPZBLBUBBU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.58
Rot. Bonds4

About 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine

3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine (PubChem CID 102906329) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine
PubChem CID102906329
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine
SMILESCC(C)C(CN1CCC(N)C(C)C1)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)13(11(3)4)9-16-7-6-14(15)12(5)8-16/h10-14H,6-9,15H2,1-5H3
InChIKeyKHYZGPZBLBUBBU-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-methylamine
CID 81574
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
Piperidine, 4-(1-methylethyl)-
CID 140569
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
(1-Cyclopentylpiperidin-4-yl)methanamine
CID 3157468
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
3-Methyl-1,4'-bipiperidine
CID 2760044
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
(1-Methylpiperidin-3-yl)methanamine
CID 13675353

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine (CID 102906329) is 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine is CC(C)C(CN1CCC(N)C(C)C1)C(C)C.
What is the InChIKey of 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine?
The InChIKey is KHYZGPZBLBUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-10(2)13(11(3)4)9-16-7-6-14(15)12(5)8-16/h10-14H,6-9,15H2,1-5H3.
What are the key properties of 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine?
3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine is sourced from PubChem (CID 102906329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).