2-N-benzyl-3-methoxycyclohexene-1,2-diamine

C14H20N2O — CID 144590770

IUPAC2-N-benzyl-3-methoxycyclohexene-1,2-diamine
SMILESCOC1CCCC(N)=C1NCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-17-13-9-5-8-12(15)14(13)16-10-11-6-3-2-4-7-11/h2-4,6-7,13,16H,5,8-10,15H2,1H3
InChIKeyOAJLLKOYOQFQDT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.15
Rot. Bonds4

About 2-N-benzyl-3-methoxycyclohexene-1,2-diamine

2-N-benzyl-3-methoxycyclohexene-1,2-diamine (PubChem CID 144590770) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-benzyl-3-methoxycyclohexene-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-methoxycyclohexene-1,2-diamine
PubChem CID144590770
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-N-benzyl-3-methoxycyclohexene-1,2-diamine
SMILESCOC1CCCC(N)=C1NCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-17-13-9-5-8-12(15)14(13)16-10-11-6-3-2-4-7-11/h2-4,6-7,13,16H,5,8-10,15H2,1H3
InChIKeyOAJLLKOYOQFQDT-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-3-methoxycyclohexene-1,2-diamine;methanol;N-propan-2-ylformamide
CID 144590779
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 57316892
[2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-yl] N-propan-2-ylcarbamate
CID 144590732
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
methyl 2-(benzylamino)cyclohexene-1-carboxylate
CID 10890178
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol
CID 144590741

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-methoxycyclohexene-1,2-diamine?
The IUPAC name of 2-N-benzyl-3-methoxycyclohexene-1,2-diamine (CID 144590770) is 2-N-benzyl-3-methoxycyclohexene-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-3-methoxycyclohexene-1,2-diamine?
The canonical SMILES for 2-N-benzyl-3-methoxycyclohexene-1,2-diamine is COC1CCCC(N)=C1NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-3-methoxycyclohexene-1,2-diamine?
The InChIKey is OAJLLKOYOQFQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-13-9-5-8-12(15)14(13)16-10-11-6-3-2-4-7-11/h2-4,6-7,13,16H,5,8-10,15H2,1H3.
What are the key properties of 2-N-benzyl-3-methoxycyclohexene-1,2-diamine?
2-N-benzyl-3-methoxycyclohexene-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-methoxycyclohexene-1,2-diamine is sourced from PubChem (CID 144590770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).