ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine

C21H49N3 — CID 169134554

IUPACethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
SMILESCC.CC.CC1CCN(C(C)C)CC1.CN1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N.C8H18N2.2C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-4-6-10(3)7-5-8;2*1-2/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1-2H3
InChIKeyDRKXVQGNHIFUIM-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.82
Rot. Bonds2

About ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine

ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine (PubChem CID 169134554) has the molecular formula C21H49N3 and a molecular weight of 343.64 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
PubChem CID169134554
Molecular FormulaC21H49N3
Molecular Weight343.64 g/mol
Exact Mass343.39
IUPAC Nameethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
SMILESCC.CC.CC1CCN(C(C)C)CC1.CN1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N.C8H18N2.2C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-4-6-10(3)7-5-8;2*1-2/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1-2H3
InChIKeyDRKXVQGNHIFUIM-UHFFFAOYSA-N
XLogP4.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine (CID 169134554) is ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine is CC.CC.CC1CCN(C(C)C)CC1.CN1CCC(N(C)C)CC1.
What is the InChIKey of ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is DRKXVQGNHIFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.2C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-4-6-10(3)7-5-8;2*1-2/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine?
ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 343.64 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 169134554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).