N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

C20H26N2 — CID 119930115

IUPACN-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESc1ccc2cc(CN(CC3CCNCC3)C3CC3)ccc2c1
InChIInChI=1S/C20H26N2/c1-2-4-19-13-17(5-6-18(19)3-1)15-22(20-7-8-20)14-16-9-11-21-12-10-16/h1-6,13,16,20-21H,7-12,14-15H2
InChIKeySPVUHAAYDACFOY-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.80
Rot. Bonds5

About N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 119930115) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID119930115
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESc1ccc2cc(CN(CC3CCNCC3)C3CC3)ccc2c1
InChIInChI=1S/C20H26N2/c1-2-4-19-13-17(5-6-18(19)3-1)15-22(20-7-8-20)14-16-9-11-21-12-10-16/h1-6,13,16,20-21H,7-12,14-15H2
InChIKeySPVUHAAYDACFOY-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.80
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-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
CID 118713779
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 79713800
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
CID 120849541
N-(piperidin-4-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 120852140
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 119930115) is N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is c1ccc2cc(CN(CC3CCNCC3)C3CC3)ccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is SPVUHAAYDACFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-4-19-13-17(5-6-18(19)3-1)15-22(20-7-8-20)14-16-9-11-21-12-10-16/h1-6,13,16,20-21H,7-12,14-15H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 294.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 119930115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).