(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine

C12H21N3 — CID 11816593

IUPAC(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine
SMILESC[C@H](N)CCc1ccc(CCCN)nc1
InChIInChI=1S/C12H21N3/c1-10(14)4-5-11-6-7-12(15-9-11)3-2-8-13/h6-7,9-10H,2-5,8,13-14H2,1H3/t10-/m0/s1
InChIKeyXMWWHSQCLHGDPO-JTQLQIEISA-N
MW207.32 g/mol
LogP1.25
Rot. Bonds6

About (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine

(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine (PubChem CID 11816593) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine
PubChem CID11816593
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine
SMILESC[C@H](N)CCc1ccc(CCCN)nc1
InChIInChI=1S/C12H21N3/c1-10(14)4-5-11-6-7-12(15-9-11)3-2-8-13/h6-7,9-10H,2-5,8,13-14H2,1H3/t10-/m0/s1
InChIKeyXMWWHSQCLHGDPO-JTQLQIEISA-N
XLogP1.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride
CID 178024498
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
5-(5-ethyl-2-pyridinyl)-N-methylpentan-2-amine
CID 79737887
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
2-(6-benzyl-3-pyridinyl)ethanamine
CID 117001758
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine?
The IUPAC name of (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine (CID 11816593) is (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine is C[C@H](N)CCc1ccc(CCCN)nc1.
What is the InChIKey of (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine?
The InChIKey is XMWWHSQCLHGDPO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3/c1-10(14)4-5-11-6-7-12(15-9-11)3-2-8-13/h6-7,9-10H,2-5,8,13-14H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine?
(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 11816593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).