N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine

C17H22N2 — CID 62975885

IUPACN'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cccc2ccccc12)C1CC1
InChIInChI=1S/C17H22N2/c1-19(16-9-10-16)12-11-18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16,18H,9-13H2,1H3
InChIKeyDLVDIOYGKXNJEZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.02
Rot. Bonds6

About N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine (PubChem CID 62975885) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
PubChem CID62975885
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cccc2ccccc12)C1CC1
InChIInChI=1S/C17H22N2/c1-19(16-9-10-16)12-11-18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16,18H,9-13H2,1H3
InChIKeyDLVDIOYGKXNJEZ-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 80649056
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine (CID 62975885) is N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine is CN(CCNCc1cccc2ccccc12)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine?
The InChIKey is DLVDIOYGKXNJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-19(16-9-10-16)12-11-18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16,18H,9-13H2,1H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62975885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).