4-pyrrolidin-1-ylbutan-2-amine

C8H18N2 — CID 11948311

IUPAC4-pyrrolidin-1-ylbutan-2-amine
SMILESCC(N)CCN1CCCC1
InChIInChI=1S/C8H18N2/c1-8(9)4-7-10-5-2-3-6-10/h8H,2-7,9H2,1H3
InChIKeyIZHXOIVNOIKRLP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds3

About 4-pyrrolidin-1-ylbutan-2-amine

4-pyrrolidin-1-ylbutan-2-amine (PubChem CID 11948311) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbutan-2-amine
PubChem CID11948311
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-pyrrolidin-1-ylbutan-2-amine
SMILESCC(N)CCN1CCCC1
InChIInChI=1S/C8H18N2/c1-8(9)4-7-10-5-2-3-6-10/h8H,2-7,9H2,1H3
InChIKeyIZHXOIVNOIKRLP-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-Pyrrolidinepropanamine
CID 31670
2-(2-Aminoethyl)-1-methylpyrrolidine
CID 98388
1-Methylspermidine
CID 132108
N1,N1-Dimethyl-N3-(1-methylethyl)-1,3-propanediamine
CID 198460
(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
beta,beta-Dimethyl-1-pyrrolidinepropanamine
CID 45088486
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
(3S)-1-N-(4-aminobutyl)butane-1,3-diamine
CID 11819319
3-(Dimethylamino)pyrrolidine
CID 2758519
4-(Pyrrolidin-1-yl)butan-1-amine
CID 2762762
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
3-(Diethylamino)pyrrolidine
CID 19961995

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 4-pyrrolidin-1-ylbutan-2-amine (CID 11948311) is 4-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 4-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 4-pyrrolidin-1-ylbutan-2-amine is CC(N)CCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is IZHXOIVNOIKRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(9)4-7-10-5-2-3-6-10/h8H,2-7,9H2,1H3.
What are the key properties of 4-pyrrolidin-1-ylbutan-2-amine?
4-pyrrolidin-1-ylbutan-2-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 4-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 11948311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).