N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine

C21H28N2 — CID 118713779

IUPACN-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
SMILESc1ccc2cc(CN(CC3CNC3)C3CCCCC3)ccc2c1
InChIInChI=1S/C21H28N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h4-7,10-12,18,21-22H,1-3,8-9,13-16H2
InChIKeyYKMARLUBARXPRP-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.19
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine

N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine (PubChem CID 118713779) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
PubChem CID118713779
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
SMILESc1ccc2cc(CN(CC3CNC3)C3CCCCC3)ccc2c1
InChIInChI=1S/C21H28N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h4-7,10-12,18,21-22H,1-3,8-9,13-16H2
InChIKeyYKMARLUBARXPRP-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclopentanamine
CID 118713781
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
N-(azetidin-3-ylmethyl)-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 142725296
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
CID 142725287
N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
CID 159405748
N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride
CID 118713757
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
CID 118713766
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine (CID 118713779) is N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine is c1ccc2cc(CN(CC3CNC3)C3CCCCC3)ccc2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine?
The InChIKey is YKMARLUBARXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h4-7,10-12,18,21-22H,1-3,8-9,13-16H2.
What are the key properties of N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine?
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine has a molecular weight of 308.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine is sourced from PubChem (CID 118713779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).