4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline

C17H27N3 — CID 61494006

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESNCc1ccc(N(CCCN2CCCC2)C2CC2)cc1
InChIInChI=1S/C17H27N3/c18-14-15-4-6-16(7-5-15)20(17-8-9-17)13-3-12-19-10-1-2-11-19/h4-7,17H,1-3,8-14,18H2
InChIKeyJSJYYULYVBDKDZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.60
Rot. Bonds7

About 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline

4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 61494006) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID61494006
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESNCc1ccc(N(CCCN2CCCC2)C2CC2)cc1
InChIInChI=1S/C17H27N3/c18-14-15-4-6-16(7-5-15)20(17-8-9-17)13-3-12-19-10-1-2-11-19/h4-7,17H,1-3,8-14,18H2
InChIKeyJSJYYULYVBDKDZ-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
CID 62228812
4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402832
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline
CID 43276219
3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide
CID 55061487
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
CID 43276221
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
CID 43276249
N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 61494177
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 61494006) is 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline is NCc1ccc(N(CCCN2CCCC2)C2CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is JSJYYULYVBDKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-14-15-4-6-16(7-5-15)20(17-8-9-17)13-3-12-19-10-1-2-11-19/h4-7,17H,1-3,8-14,18H2.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 273.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 61494006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).