N'-(naphthalen-2-ylmethyl)methanediamine

C12H14N2 — CID 115225812

IUPACN'-(naphthalen-2-ylmethyl)methanediamine
SMILESNCNCc1ccc2ccccc2c1
InChIInChI=1S/C12H14N2/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,14H,8-9,13H2
InChIKeyKSSADKPFNJKJJQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.85
Rot. Bonds3

About N'-(naphthalen-2-ylmethyl)methanediamine

N'-(naphthalen-2-ylmethyl)methanediamine (PubChem CID 115225812) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N'-(naphthalen-2-ylmethyl)methanediamine.

Molecular Properties

Compound NameN'-(naphthalen-2-ylmethyl)methanediamine
PubChem CID115225812
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN'-(naphthalen-2-ylmethyl)methanediamine
SMILESNCNCc1ccc2ccccc2c1
InChIInChI=1S/C12H14N2/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,14H,8-9,13H2
InChIKeyKSSADKPFNJKJJQ-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(hydrazinylmethyl)-1-naphthalen-2-ylmethanamine
CID 115260879
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
CID 115240733
N-(naphthalen-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351410
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 115632533
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259

Frequently Asked Questions

What is the IUPAC name of N'-(naphthalen-2-ylmethyl)methanediamine?
The IUPAC name of N'-(naphthalen-2-ylmethyl)methanediamine (CID 115225812) is N'-(naphthalen-2-ylmethyl)methanediamine.
What is the SMILES notation for N'-(naphthalen-2-ylmethyl)methanediamine?
The canonical SMILES for N'-(naphthalen-2-ylmethyl)methanediamine is NCNCc1ccc2ccccc2c1.
What is the InChIKey of N'-(naphthalen-2-ylmethyl)methanediamine?
The InChIKey is KSSADKPFNJKJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,14H,8-9,13H2.
What are the key properties of N'-(naphthalen-2-ylmethyl)methanediamine?
N'-(naphthalen-2-ylmethyl)methanediamine has a molecular weight of 186.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(naphthalen-2-ylmethyl)methanediamine is sourced from PubChem (CID 115225812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).