4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline

C16H26N2 — CID 78973906

IUPAC4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
SMILESCC(C)CCN(C1CC1)C(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2/c1-12(2)10-11-18(16-8-9-16)13(3)14-4-6-15(17)7-5-14/h4-7,12-13,16H,8-11,17H2,1-3H3
InChIKeyVKXLNCRYRYHMAO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.84
Rot. Bonds6

About 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline

4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline (PubChem CID 78973906) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
PubChem CID78973906
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
SMILESCC(C)CCN(C1CC1)C(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2/c1-12(2)10-11-18(16-8-9-16)13(3)14-4-6-15(17)7-5-14/h4-7,12-13,16H,8-11,17H2,1-3H3
InChIKeyVKXLNCRYRYHMAO-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
CID 54948492
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
CID 78974138
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641
2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78943985
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
CID 79013721
1-(1,3-benzodioxol-5-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78973599
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157

Frequently Asked Questions

What is the IUPAC name of 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline?
The IUPAC name of 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline (CID 78973906) is 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline?
The canonical SMILES for 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline is CC(C)CCN(C1CC1)C(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline?
The InChIKey is VKXLNCRYRYHMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)10-11-18(16-8-9-16)13(3)14-4-6-15(17)7-5-14/h4-7,12-13,16H,8-11,17H2,1-3H3.
What are the key properties of 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline?
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline is sourced from PubChem (CID 78973906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).