1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine

C12H20N2 — CID 66410514

IUPAC1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
SMILESCCC(CC1CC1)NCc1cc[nH]c1
InChIInChI=1S/C12H20N2/c1-2-12(7-10-3-4-10)14-9-11-5-6-13-8-11/h5-6,8,10,12-14H,2-4,7,9H2,1H3
InChIKeyIZEHUXGFPUDLHD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.68
Rot. Bonds6

About 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine

1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine (PubChem CID 66410514) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
PubChem CID66410514
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
SMILESCCC(CC1CC1)NCc1cc[nH]c1
InChIInChI=1S/C12H20N2/c1-2-12(7-10-3-4-10)14-9-11-5-6-13-8-11/h5-6,8,10,12-14H,2-4,7,9H2,1H3
InChIKeyIZEHUXGFPUDLHD-UHFFFAOYSA-N
XLogP2.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686305
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504
2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol
CID 107740810
1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
CID 113328756
2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686124
N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
CID 115682672
N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine
CID 114076540
N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
CID 131223122
1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
CID 146000033
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine (CID 66410514) is 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine is CCC(CC1CC1)NCc1cc[nH]c1.
What is the InChIKey of 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine?
The InChIKey is IZEHUXGFPUDLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-12(7-10-3-4-10)14-9-11-5-6-13-8-11/h5-6,8,10,12-14H,2-4,7,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine?
1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 66410514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).