N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine

C10H17N3 — CID 115244513

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine
SMILESCNCC1(CNc2ccc[nH]2)CC1
InChIInChI=1S/C10H17N3/c1-11-7-10(4-5-10)8-13-9-3-2-6-12-9/h2-3,6,11-13H,4-5,7-8H2,1H3
InChIKeyZMLNFBUWBCTQDA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.43
Rot. Bonds5

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine (PubChem CID 115244513) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine
PubChem CID115244513
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine
SMILESCNCC1(CNc2ccc[nH]2)CC1
InChIInChI=1S/C10H17N3/c1-11-7-10(4-5-10)8-13-9-3-2-6-12-9/h2-3,6,11-13H,4-5,7-8H2,1H3
InChIKeyZMLNFBUWBCTQDA-UHFFFAOYSA-N
XLogP1.43
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115197680
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-indol-3-amine
CID 115244510
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 115246235
1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246382
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
CID 115244481
1-[1-[(2-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024865
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
CID 115244542

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine (CID 115244513) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine is CNCC1(CNc2ccc[nH]2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine?
The InChIKey is ZMLNFBUWBCTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-11-7-10(4-5-10)8-13-9-3-2-6-12-9/h2-3,6,11-13H,4-5,7-8H2,1H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 115244513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).