[(3S)-1-butylpyrrolidin-3-yl]methanamine

C9H20N2 — CID 42257234

IUPAC[(3S)-1-butylpyrrolidin-3-yl]methanamine
SMILESCCCCN1CC[C@@H](CN)C1
InChIInChI=1S/C9H20N2/c1-2-3-5-11-6-4-9(7-10)8-11/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyZWQDCCSMHQUNBC-VIFPVBQESA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds4

About [(3S)-1-butylpyrrolidin-3-yl]methanamine

[(3S)-1-butylpyrrolidin-3-yl]methanamine (PubChem CID 42257234) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is [(3S)-1-butylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-butylpyrrolidin-3-yl]methanamine
PubChem CID42257234
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name[(3S)-1-butylpyrrolidin-3-yl]methanamine
SMILESCCCCN1CC[C@@H](CN)C1
InChIInChI=1S/C9H20N2/c1-2-3-5-11-6-4-9(7-10)8-11/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyZWQDCCSMHQUNBC-VIFPVBQESA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
3-butyl-1-hexylpyrrolidine
CID 171570679
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-butylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-butylpyrrolidin-3-yl]methanamine (CID 42257234) is [(3S)-1-butylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-butylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-butylpyrrolidin-3-yl]methanamine is CCCCN1CC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-butylpyrrolidin-3-yl]methanamine?
The InChIKey is ZWQDCCSMHQUNBC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-5-11-6-4-9(7-10)8-11/h9H,2-8,10H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-1-butylpyrrolidin-3-yl]methanamine?
[(3S)-1-butylpyrrolidin-3-yl]methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-butylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 42257234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).