4-[3-(cyclopropylmethylamino)propyl]aniline

C13H20N2 — CID 115341816

IUPAC4-[3-(cyclopropylmethylamino)propyl]aniline
SMILESNc1ccc(CCCNCC2CC2)cc1
InChIInChI=1S/C13H20N2/c14-13-7-5-11(6-8-13)2-1-9-15-10-12-3-4-12/h5-8,12,15H,1-4,9-10,14H2
InChIKeyRGMPVYSFLXCJMD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.20
Rot. Bonds6

About 4-[3-(cyclopropylmethylamino)propyl]aniline

4-[3-(cyclopropylmethylamino)propyl]aniline (PubChem CID 115341816) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethylamino)propyl]aniline.

Molecular Properties

Compound Name4-[3-(cyclopropylmethylamino)propyl]aniline
PubChem CID115341816
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[3-(cyclopropylmethylamino)propyl]aniline
SMILESNc1ccc(CCCNCC2CC2)cc1
InChIInChI=1S/C13H20N2/c14-13-7-5-11(6-8-13)2-1-9-15-10-12-3-4-12/h5-8,12,15H,1-4,9-10,14H2
InChIKeyRGMPVYSFLXCJMD-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
4-[3-(dicyclopropylmethylamino)propyl]aniline
CID 113290643
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
4-[3-(4,4,4-trifluorobutylamino)propyl]aniline
CID 113327688
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline
CID 114114017
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
4-[3-(7-methyloctylamino)propyl]aniline
CID 107815674
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213715
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethylamino)propyl]aniline?
The IUPAC name of 4-[3-(cyclopropylmethylamino)propyl]aniline (CID 115341816) is 4-[3-(cyclopropylmethylamino)propyl]aniline.
What is the SMILES notation for 4-[3-(cyclopropylmethylamino)propyl]aniline?
The canonical SMILES for 4-[3-(cyclopropylmethylamino)propyl]aniline is Nc1ccc(CCCNCC2CC2)cc1.
What is the InChIKey of 4-[3-(cyclopropylmethylamino)propyl]aniline?
The InChIKey is RGMPVYSFLXCJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-13-7-5-11(6-8-13)2-1-9-15-10-12-3-4-12/h5-8,12,15H,1-4,9-10,14H2.
What are the key properties of 4-[3-(cyclopropylmethylamino)propyl]aniline?
4-[3-(cyclopropylmethylamino)propyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethylamino)propyl]aniline is sourced from PubChem (CID 115341816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).