2-pyrrolidin-1-ylbutan-1-amine

C8H18N2 — CID 16781670

IUPAC2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CN)N1CCCC1
InChIInChI=1S/C8H18N2/c1-2-8(7-9)10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKeyWMFCMIRCRKQLRO-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds3

About 2-pyrrolidin-1-ylbutan-1-amine

2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 16781670) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-ylbutan-1-amine
PubChem CID16781670
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CN)N1CCCC1
InChIInChI=1S/C8H18N2/c1-2-8(7-9)10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKeyWMFCMIRCRKQLRO-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
1-Pyrrolidineethanamine
CID 1344
2-Aminomethyl-1-ethylpyrrolidine
CID 117295
Methyl(2-(pyrrolidin-1-yl)ethyl)amine
CID 295976
2-Methyl-1-(pyrrolidin-1-yl)propan-2-amine
CID 2794701
3-(Ethylamino)pyrrolidine
CID 14280900
N,N-Dibutylethylenediamine
CID 77062
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
N~1~,N~1~-Dimethylbutane-1,2-diamine
CID 44652
3-(Dimethylamino)pyrrolidine
CID 2758519
4-(Pyrrolidin-1-yl)butan-1-amine
CID 2762762

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-pyrrolidin-1-ylbutan-1-amine (CID 16781670) is 2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-pyrrolidin-1-ylbutan-1-amine is CCC(CN)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is WMFCMIRCRKQLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-8(7-9)10-5-3-4-6-10/h8H,2-7,9H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylbutan-1-amine?
2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 16781670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).