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

C11H18N2 — CID 115686124

IUPAC2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C11H18N2/c1-9(11-2-3-11)6-13-8-10-4-5-12-7-10/h4-5,7,9,11-13H,2-3,6,8H2,1H3
InChIKeyXRYPAUQIXYEOLV-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds5

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

2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (PubChem CID 115686124) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
PubChem CID115686124
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C11H18N2/c1-9(11-2-3-11)6-13-8-10-4-5-12-7-10/h4-5,7,9,11-13H,2-3,6,8H2,1H3
InChIKeyXRYPAUQIXYEOLV-UHFFFAOYSA-N
XLogP2.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 115405774
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504
N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 115686191
3-methyl-2-[(1H-pyrrol-3-ylmethylamino)methyl]butanoic acid
CID 115250331
N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
CID 131223122
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102
2-methoxy-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686359
3-[(2-cyclopropylpropylamino)methyl]phenol
CID 115592725
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
CID 115905006
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
CID 66410514

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (CID 115686124) is 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is CC(CNCc1cc[nH]c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The InChIKey is XRYPAUQIXYEOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(11-2-3-11)6-13-8-10-4-5-12-7-10/h4-5,7,9,11-13H,2-3,6,8H2,1H3.
What are the key properties of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115686124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).