N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine

C11H24N2O2 — CID 175555316

IUPACN'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
SMILESCOC1CCC(CNCCN)CC1OC
InChIInChI=1S/C11H24N2O2/c1-14-10-4-3-9(7-11(10)15-2)8-13-6-5-12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyCNUSVPGYQPVKDW-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.36
Rot. Bonds6

About N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine

N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine (PubChem CID 175555316) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
PubChem CID175555316
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
SMILESCOC1CCC(CNCCN)CC1OC
InChIInChI=1S/C11H24N2O2/c1-14-10-4-3-9(7-11(10)15-2)8-13-6-5-12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyCNUSVPGYQPVKDW-UHFFFAOYSA-N
XLogP0.36
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 18175301
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol
CID 156542299
(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol
CID 143986919
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N'-[[4-[3-[(4-methoxycyclohexyl)methyl]-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl]cyclohexyl]methyl]ethane-1,2-diamine
CID 140813056

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine (CID 175555316) is N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine is COC1CCC(CNCCN)CC1OC.
What is the InChIKey of N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine?
The InChIKey is CNUSVPGYQPVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-14-10-4-3-9(7-11(10)15-2)8-13-6-5-12/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine?
N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 175555316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).