N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine

C24H34N2 — CID 154130289

IUPACN-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine
SMILESc1ccc2c(CNC3CCCCC3)c(CNC3CCCCC3)ccc2c1
InChIInChI=1S/C24H34N2/c1-3-10-21(11-4-1)25-17-20-16-15-19-9-7-8-14-23(19)24(20)18-26-22-12-5-2-6-13-22/h7-9,14-16,21-22,25-26H,1-6,10-13,17-18H2
InChIKeyRRPBKBLWFOBUAY-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.68
Rot. Bonds6

About N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine

N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine (PubChem CID 154130289) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine
PubChem CID154130289
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine
SMILESc1ccc2c(CNC3CCCCC3)c(CNC3CCCCC3)ccc2c1
InChIInChI=1S/C24H34N2/c1-3-10-21(11-4-1)25-17-20-16-15-19-9-7-8-14-23(19)24(20)18-26-22-12-5-2-6-13-22/h7-9,14-16,21-22,25-26H,1-6,10-13,17-18H2
InChIKeyRRPBKBLWFOBUAY-UHFFFAOYSA-N
XLogP5.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine (CID 154130289) is N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine is c1ccc2c(CNC3CCCCC3)c(CNC3CCCCC3)ccc2c1.
What is the InChIKey of N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine?
The InChIKey is RRPBKBLWFOBUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-3-10-21(11-4-1)25-17-20-16-15-19-9-7-8-14-23(19)24(20)18-26-22-12-5-2-6-13-22/h7-9,14-16,21-22,25-26H,1-6,10-13,17-18H2.
What are the key properties of N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine?
N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine has a molecular weight of 350.55 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 154130289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).