(1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine

C8H18N2 — CID 57150816

IUPAC(1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine
SMILESCCC[C@H](N)[C@@H]1CCNC1
InChIInChI=1S/C8H18N2/c1-2-3-8(9)7-4-5-10-6-7/h7-8,10H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyZJERUGYNWQAHFJ-SFYZADRCSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds3

About (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine

(1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine (PubChem CID 57150816) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine.

Molecular Properties

Compound Name(1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine
PubChem CID57150816
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine
SMILESCCC[C@H](N)[C@@H]1CCNC1
InChIInChI=1S/C8H18N2/c1-2-3-8(9)7-4-5-10-6-7/h7-8,10H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyZJERUGYNWQAHFJ-SFYZADRCSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-3-(N-methylamino)hexylamine
CID 26635
1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486
2-Cyclohexylpyrrolidine
CID 4637746
3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
2-(2-Methylpropyl)pyrrolidine
CID 3613277
2-(Propan-2-yl)pyrrolidine
CID 3855943
4-(1-Methylpyrrolidin-2-yl)piperidine
CID 66272593
2-Sec-butylpyrrolidine
CID 3563411
3-Butylpyrrolidine
CID 17389761
3-Pyrrolidin-2-ylpiperidine
CID 458601
2-Cyclopentylpyrrolidine
CID 4031549
2-(Propan-2-yl)pyrrolidine hydrochloride
CID 17389515

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine?
The IUPAC name of (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine (CID 57150816) is (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine.
What is the SMILES notation for (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine?
The canonical SMILES for (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine is CCC[C@H](N)[C@@H]1CCNC1.
What is the InChIKey of (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine?
The InChIKey is ZJERUGYNWQAHFJ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-3-8(9)7-4-5-10-6-7/h7-8,10H,2-6,9H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine?
(1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-pyrrolidin-3-yl]butan-1-amine is sourced from PubChem (CID 57150816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).