(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride

C9H22Cl2N2 — CID 166000535

IUPAC(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
SMILESCCC(CC)N1CC[C@H](N)C1.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-3-9(4-2)11-6-5-8(10)7-11;;/h8-9H,3-7,10H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyVYGFVIPKKIXBKD-JZGIKJSDSA-N
MW229.19 g/mol
LogP2.05
Rot. Bonds3

About (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride

(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride (PubChem CID 166000535) has the molecular formula C9H22Cl2N2 and a molecular weight of 229.19 g/mol. Its IUPAC name is (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
PubChem CID166000535
Molecular FormulaC9H22Cl2N2
Molecular Weight229.19 g/mol
Exact Mass228.12
IUPAC Name(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
SMILESCCC(CC)N1CC[C@H](N)C1.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-3-9(4-2)11-6-5-8(10)7-11;;/h8-9H,3-7,10H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyVYGFVIPKKIXBKD-JZGIKJSDSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride 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

(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride
CID 118994718
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
1-(1-cyclopentylpropyl)pyrrolidin-3-amine
CID 130948140
1-heptan-4-ylpiperidin-4-amine
CID 29009442
3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 104711134
(3S)-1-(4,4,4-trifluorobutan-2-yl)pyrrolidin-3-amine;hydrochloride
CID 130617405
1-(1-fluoropropyl)piperidin-4-amine
CID 68908294
4-chloro-3-methyl-1-pentan-3-ylpiperidine
CID 114682317
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80552662
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride (CID 166000535) is (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride is CCC(CC)N1CC[C@H](N)C1.Cl.Cl.
What is the InChIKey of (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is VYGFVIPKKIXBKD-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H20N2.2ClH/c1-3-9(4-2)11-6-5-8(10)7-11;;/h8-9H,3-7,10H2,1-2H3;2*1H/t8-;;/m0../s1.
What are the key properties of (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride?
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 229.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 166000535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).