1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine

C13H29N3 — CID 81463800

IUPAC1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(C)CC(CN)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-10(2)6-12(7-14)16-8-11(3)13(9-16)15(4)5/h10-13H,6-9,14H2,1-5H3
InChIKeyPYHWQMSLUFLNHF-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds5

About 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine

1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81463800) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81463800
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(C)CC(CN)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-10(2)6-12(7-14)16-8-11(3)13(9-16)15(4)5/h10-13H,6-9,14H2,1-5H3
InChIKeyPYHWQMSLUFLNHF-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81463800) is 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine is CC(C)CC(CN)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is PYHWQMSLUFLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-10(2)6-12(7-14)16-8-11(3)13(9-16)15(4)5/h10-13H,6-9,14H2,1-5H3.
What are the key properties of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81463800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).