4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline

C16H24N2 — CID 113290708

IUPAC4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline
SMILESNc1ccc(CCCN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c17-15-7-5-13(6-8-15)2-1-11-18(16-9-10-16)12-14-3-4-14/h5-8,14,16H,1-4,9-12,17H2
InChIKeyWTHIPIOFBYJZLQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.08
Rot. Bonds7

About 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline

4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline (PubChem CID 113290708) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline
PubChem CID113290708
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline
SMILESNc1ccc(CCCN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c17-15-7-5-13(6-8-15)2-1-11-18(16-9-10-16)12-14-3-4-14/h5-8,14,16H,1-4,9-12,17H2
InChIKeyWTHIPIOFBYJZLQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Azepan-1-yl)methyl]aniline
CID 1084713
4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline
CID 10425024
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
4-((4-Methylpiperazin-1-yl)methyl)aniline
CID 3153996
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
2-(4-Aminophenyl)ethylamine
CID 72895
4-Dimethylaminophenethylamine
CID 151268
4-(Piperidin-1-ylmethyl)aniline
CID 846150
4-[(4-Methylpiperidin-1-yl)methyl]aniline
CID 1084995
4-[(4-Ethylpiperazin-1-yl)methyl]aniline
CID 1084996
4-(2-(Pyrrolidin-1-yl)ethyl)aniline
CID 6487047

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline?
The IUPAC name of 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline (CID 113290708) is 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline is Nc1ccc(CCCN(CC2CC2)C2CC2)cc1.
What is the InChIKey of 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline?
The InChIKey is WTHIPIOFBYJZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-15-7-5-13(6-8-15)2-1-11-18(16-9-10-16)12-14-3-4-14/h5-8,14,16H,1-4,9-12,17H2.
What are the key properties of 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline?
4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline has a molecular weight of 244.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline is sourced from PubChem (CID 113290708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).