1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine

C13H29N3 — CID 106800060

IUPAC1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCC(N)CCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-12(14)7-6-8-16-9-11(2)13(10-16)15(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyZVKNDOSNSZPBPE-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds6

About 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine

1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 106800060) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID106800060
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCC(N)CCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-12(14)7-6-8-16-9-11(2)13(10-16)15(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyZVKNDOSNSZPBPE-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine (CID 106800060) is 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine is CCC(N)CCCN1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is ZVKNDOSNSZPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-12(14)7-6-8-16-9-11(2)13(10-16)15(3)4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 106800060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).