1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine

C9H15N3 — CID 116961220

IUPAC1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
SMILESCNC(c1cc[nH]c1)C1(N)CC1
InChIInChI=1S/C9H15N3/c1-11-8(9(10)3-4-9)7-2-5-12-6-7/h2,5-6,8,11-12H,3-4,10H2,1H3
InChIKeyBQANFEFTKUAVFN-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.77
Rot. Bonds3

About 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine

1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 116961220) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
PubChem CID116961220
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
SMILESCNC(c1cc[nH]c1)C1(N)CC1
InChIInChI=1S/C9H15N3/c1-11-8(9(10)3-4-9)7-2-5-12-6-7/h2,5-6,8,11-12H,3-4,10H2,1H3
InChIKeyBQANFEFTKUAVFN-UHFFFAOYSA-N
XLogP0.77
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 116958677
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958953
1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961162
1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
CID 116961273
1-[methylamino(pyridin-3-yl)methyl]cyclopropan-1-amine
CID 116961279
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961270
5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116961253
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
CID 116948256
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
6-[(1-aminocyclopropyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116961235

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine (CID 116961220) is 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine is CNC(c1cc[nH]c1)C1(N)CC1.
What is the InChIKey of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is BQANFEFTKUAVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-11-8(9(10)3-4-9)7-2-5-12-6-7/h2,5-6,8,11-12H,3-4,10H2,1H3.
What are the key properties of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine?
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).