4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline

C16H26N2 — CID 43383869

IUPAC4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)CC1CCCCC1
InChIInChI=1S/C16H26N2/c1-2-18(12-14-6-4-3-5-7-14)13-15-8-10-16(17)11-9-15/h8-11,14H,2-7,12-13,17H2,1H3
InChIKeySCLRSKFZHZPXOP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.67
Rot. Bonds5

About 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline

4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline (PubChem CID 43383869) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
PubChem CID43383869
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)CC1CCCCC1
InChIInChI=1S/C16H26N2/c1-2-18(12-14-6-4-3-5-7-14)13-15-8-10-16(17)11-9-15/h8-11,14H,2-7,12-13,17H2,1H3
InChIKeySCLRSKFZHZPXOP-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.67
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-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 107402138
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
(E)-3-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 107400862
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline?
The IUPAC name of 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline (CID 43383869) is 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline is CCN(Cc1ccc(N)cc1)CC1CCCCC1.
What is the InChIKey of 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline?
The InChIKey is SCLRSKFZHZPXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-18(12-14-6-4-3-5-7-14)13-15-8-10-16(17)11-9-15/h8-11,14H,2-7,12-13,17H2,1H3.
What are the key properties of 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline?
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline is sourced from PubChem (CID 43383869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).