N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine

C35H42N2 — CID 139567562

IUPACN-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine
SMILESCC1CC(CC2CCC(Nc3cccc4ccccc34)C(C)C2)CCC1Nc1cccc2ccccc12
InChIInChI=1S/C35H42N2/c1-24-21-26(17-19-32(24)36-34-15-7-11-28-9-3-5-13-30(28)34)23-27-18-20-33(25(2)22-27)37-35-16-8-12-29-10-4-6-14-31(29)35/h3-16,24-27,32-33,36-37H,17-23H2,1-2H3
InChIKeyPMOMSCWSISYZMX-UHFFFAOYSA-N
MW490.74 g/mol
LogP9.52
Rot. Bonds6

About N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine

N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine (PubChem CID 139567562) has the molecular formula C35H42N2 and a molecular weight of 490.74 g/mol. Its IUPAC name is N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine
PubChem CID139567562
Molecular FormulaC35H42N2
Molecular Weight490.74 g/mol
Exact Mass490.33
IUPAC NameN-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine
SMILESCC1CC(CC2CCC(Nc3cccc4ccccc34)C(C)C2)CCC1Nc1cccc2ccccc12
InChIInChI=1S/C35H42N2/c1-24-21-26(17-19-32(24)36-34-15-7-11-28-9-3-5-13-30(28)34)23-27-18-20-33(25(2)22-27)37-35-16-8-12-29-10-4-6-14-31(29)35/h3-16,24-27,32-33,36-37H,17-23H2,1-2H3
InChIKeyPMOMSCWSISYZMX-UHFFFAOYSA-N
XLogP9.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine with MolForge

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Related Compounds

N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
N-naphthalen-1-yltricyclo[5.2.1.02,6]decan-8-amine
CID 43503137
N-(2-propylcyclohexyl)naphthalen-1-amine
CID 154951720
4-(naphthalen-1-ylamino)oxolan-3-ol
CID 60898015
1-cyclopropyl-5-methyl-N-naphthalen-1-ylpyrrolidin-3-amine
CID 115928211
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366
N-naphthalen-1-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853527
3-chloro-1-N-(2,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 113458644
N-(2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 43512758
3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
CID 63995449
N-(2,4-dimethylcyclohexyl)cinnolin-4-amine
CID 63994529

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine?
The IUPAC name of N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine (CID 139567562) is N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine?
The canonical SMILES for N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine is CC1CC(CC2CCC(Nc3cccc4ccccc34)C(C)C2)CCC1Nc1cccc2ccccc12.
What is the InChIKey of N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine?
The InChIKey is PMOMSCWSISYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2/c1-24-21-26(17-19-32(24)36-34-15-7-11-28-9-3-5-13-30(28)34)23-27-18-20-33(25(2)22-27)37-35-16-8-12-29-10-4-6-14-31(29)35/h3-16,24-27,32-33,36-37H,17-23H2,1-2H3.
What are the key properties of N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine?
N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine has a molecular weight of 490.74 g/mol, XLogP of 9.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine is sourced from PubChem (CID 139567562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).