(1S)-1-(1H-pyrrol-2-yl)butan-1-amine

C8H14N2 — CID 96637438

IUPAC(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
SMILESCCC[C@H](N)c1ccc[nH]1
InChIInChI=1S/C8H14N2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,10H,2,4,9H2,1H3/t7-/m0/s1
InChIKeyNTVRSPMLZICNFR-ZETCQYMHSA-N
MW138.21 g/mol
LogP1.81
Rot. Bonds3

About (1S)-1-(1H-pyrrol-2-yl)butan-1-amine

(1S)-1-(1H-pyrrol-2-yl)butan-1-amine (PubChem CID 96637438) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S)-1-(1H-pyrrol-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
PubChem CID96637438
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
SMILESCCC[C@H](N)c1ccc[nH]1
InChIInChI=1S/C8H14N2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,10H,2,4,9H2,1H3/t7-/m0/s1
InChIKeyNTVRSPMLZICNFR-ZETCQYMHSA-N
XLogP1.81
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
1-(1H-pyrrol-2-yl)butan-1-ol
CID 57024972
2-hexan-3-yl-1H-pyrrole
CID 91299490
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
CID 55292248
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116939912
2-heptan-3-yl-1H-pyrrole
CID 151647430
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-pyrrol-2-yl)butan-1-amine?
The IUPAC name of (1S)-1-(1H-pyrrol-2-yl)butan-1-amine (CID 96637438) is (1S)-1-(1H-pyrrol-2-yl)butan-1-amine.
What is the SMILES notation for (1S)-1-(1H-pyrrol-2-yl)butan-1-amine?
The canonical SMILES for (1S)-1-(1H-pyrrol-2-yl)butan-1-amine is CCC[C@H](N)c1ccc[nH]1.
What is the InChIKey of (1S)-1-(1H-pyrrol-2-yl)butan-1-amine?
The InChIKey is NTVRSPMLZICNFR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,10H,2,4,9H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1H-pyrrol-2-yl)butan-1-amine?
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-pyrrol-2-yl)butan-1-amine is sourced from PubChem (CID 96637438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).