(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine

C14H26N2 — CID 70645871

IUPAC(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(CC)N[C@H](C(=C)N1CCCC1)C(C)C
InChIInChI=1S/C14H26N2/c1-6-12(4)15-14(11(2)3)13(5)16-9-7-8-10-16/h11,14-15H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyRUXXNLPOKIPFFD-AWEZNQCLSA-N
MW222.38 g/mol
LogP3.13
Rot. Bonds6

About (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine

(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine (PubChem CID 70645871) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine
PubChem CID70645871
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(CC)N[C@H](C(=C)N1CCCC1)C(C)C
InChIInChI=1S/C14H26N2/c1-6-12(4)15-14(11(2)3)13(5)16-9-7-8-10-16/h11,14-15H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyRUXXNLPOKIPFFD-AWEZNQCLSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine?
The IUPAC name of (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine (CID 70645871) is (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine.
What is the SMILES notation for (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine?
The canonical SMILES for (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine is C=C(CC)N[C@H](C(=C)N1CCCC1)C(C)C.
What is the InChIKey of (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine?
The InChIKey is RUXXNLPOKIPFFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-12(4)15-14(11(2)3)13(5)16-9-7-8-10-16/h11,14-15H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine?
(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine has a molecular weight of 222.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine is sourced from PubChem (CID 70645871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).