N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine

C25H35NO2 — CID 167064406

IUPACN,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine
SMILESCOC(C)COC1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C25H35NO2/c1-21(27-3)20-28-25(2)16-14-24(15-17-25)26(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3
InChIKeyKIJGINPUJGAZPD-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.44
Rot. Bonds9

About N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine

N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine (PubChem CID 167064406) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine
PubChem CID167064406
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC NameN,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine
SMILESCOC(C)COC1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C25H35NO2/c1-21(27-3)20-28-25(2)16-14-24(15-17-25)26(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3
InChIKeyKIJGINPUJGAZPD-UHFFFAOYSA-N
XLogP5.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dibenzylamino)-1-methylcyclohexane-1-carboxylic acid
CID 171314831
N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
CID 175131150
N,N-dibenzylcyclobutanamine
CID 70822586
ethyl 4-(dibenzylamino)-1-methylcyclohexane-1-carboxylate
CID 171314830
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one
CID 174737781
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
CID 171699728
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
CID 129247626
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine?
The IUPAC name of N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine (CID 167064406) is N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine?
The canonical SMILES for N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine is COC(C)COC1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine?
The InChIKey is KIJGINPUJGAZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-21(27-3)20-28-25(2)16-14-24(15-17-25)26(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3.
What are the key properties of N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine?
N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine has a molecular weight of 381.56 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 167064406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).