N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine

C15H18N2 — CID 115206802

IUPACN-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine
SMILESc1ccc2cc(NCCNC3CC3)ccc2c1
InChIInChI=1S/C15H18N2/c1-2-4-13-11-15(6-5-12(13)3-1)17-10-9-16-14-7-8-14/h1-6,11,14,16-17H,7-10H2
InChIKeyFLKHFSGEUTYPPO-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.00
Rot. Bonds5

About N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine

N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine (PubChem CID 115206802) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine
PubChem CID115206802
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine
SMILESc1ccc2cc(NCCNC3CC3)ccc2c1
InChIInChI=1S/C15H18N2/c1-2-4-13-11-15(6-5-12(13)3-1)17-10-9-16-14-7-8-14/h1-6,11,14,16-17H,7-10H2
InChIKeyFLKHFSGEUTYPPO-UHFFFAOYSA-N
XLogP3.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
N-hexadecylnaphthalen-2-amine
CID 12796089
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
2-bromo-4-[2-(cyclopropylamino)ethylamino]benzamide
CID 107280649
N-[(4-naphthalen-2-ylphenyl)methyl]cyclopropanamine
CID 63424074
N'-(3-bromophenyl)-N-(oxan-4-yl)ethane-1,2-diamine
CID 75499211

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine (CID 115206802) is N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine is c1ccc2cc(NCCNC3CC3)ccc2c1.
What is the InChIKey of N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine?
The InChIKey is FLKHFSGEUTYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-4-13-11-15(6-5-12(13)3-1)17-10-9-16-14-7-8-14/h1-6,11,14,16-17H,7-10H2.
What are the key properties of N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine?
N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).