4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline

C16H26N2 — CID 115341946

IUPAC4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline
SMILESCC(C)N(CCCc1ccc(N)cc1)CC1CC1
InChIInChI=1S/C16H26N2/c1-13(2)18(12-15-5-6-15)11-3-4-14-7-9-16(17)10-8-14/h7-10,13,15H,3-6,11-12,17H2,1-2H3
InChIKeySDCSFZRGNMMEJA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds7

About 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline

4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline (PubChem CID 115341946) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline
PubChem CID115341946
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline
SMILESCC(C)N(CCCc1ccc(N)cc1)CC1CC1
InChIInChI=1S/C16H26N2/c1-13(2)18(12-15-5-6-15)11-3-4-14-7-9-16(17)10-8-14/h7-10,13,15H,3-6,11-12,17H2,1-2H3
InChIKeySDCSFZRGNMMEJA-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
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-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline
CID 113290708
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001232
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
CID 115341949
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001379
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline?
The IUPAC name of 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline (CID 115341946) is 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline is CC(C)N(CCCc1ccc(N)cc1)CC1CC1.
What is the InChIKey of 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline?
The InChIKey is SDCSFZRGNMMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)18(12-15-5-6-15)11-3-4-14-7-9-16(17)10-8-14/h7-10,13,15H,3-6,11-12,17H2,1-2H3.
What are the key properties of 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline?
4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline is sourced from PubChem (CID 115341946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).