N-benzyl-1-(2-ethylcyclohexyl)methanamine

C16H25N — CID 130974356

IUPACN-benzyl-1-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1CNCc1ccccc1
InChIInChI=1S/C16H25N/c1-2-15-10-6-7-11-16(15)13-17-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3
InChIKeyMZTFTTZRUMYOTA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.99
Rot. Bonds5

About N-benzyl-1-(2-ethylcyclohexyl)methanamine

N-benzyl-1-(2-ethylcyclohexyl)methanamine (PubChem CID 130974356) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-benzyl-1-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(2-ethylcyclohexyl)methanamine
PubChem CID130974356
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-benzyl-1-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1CNCc1ccccc1
InChIInChI=1S/C16H25N/c1-2-15-10-6-7-11-16(15)13-17-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3
InChIKeyMZTFTTZRUMYOTA-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine
CID 175617918
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
N-benzyl-1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 45360416
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-ethylcyclohexyl)methanamine?
The IUPAC name of N-benzyl-1-(2-ethylcyclohexyl)methanamine (CID 130974356) is N-benzyl-1-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-benzyl-1-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for N-benzyl-1-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1CNCc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-ethylcyclohexyl)methanamine?
The InChIKey is MZTFTTZRUMYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-15-10-6-7-11-16(15)13-17-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3.
What are the key properties of N-benzyl-1-(2-ethylcyclohexyl)methanamine?
N-benzyl-1-(2-ethylcyclohexyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 130974356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).