2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine

C16H19N — CID 66045234

IUPAC2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
SMILESC=C(CC)CNCc1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-3-13(2)11-17-12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,17H,2-3,11-12H2,1H3
InChIKeyZGMQDDFYXXFATK-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.90
Rot. Bonds5

About 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine

2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine (PubChem CID 66045234) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
PubChem CID66045234
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
SMILESC=C(CC)CNCc1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-3-13(2)11-17-12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,17H,2-3,11-12H2,1H3
InChIKeyZGMQDDFYXXFATK-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylidenebutylamino)methyl]phenol
CID 114331940
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(2-bromophenyl)methyl]-2-methylidenebutan-1-amine
CID 66045694
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242
N,N-dimethyl-2-(naphthalen-1-ylmethylamino)acetamide
CID 21468663
2-methylidene-N-[(2-nitrophenyl)methyl]butan-1-amine
CID 66043777
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
1-N-methyl-1-N'-(naphthalen-1-ylmethyl)ethene-1,1-diamine
CID 142138945
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine
CID 139397678
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine?
The IUPAC name of 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine (CID 66045234) is 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine is C=C(CC)CNCc1cccc2ccccc12.
What is the InChIKey of 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine?
The InChIKey is ZGMQDDFYXXFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-13(2)11-17-12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,17H,2-3,11-12H2,1H3.
What are the key properties of 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine?
2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 66045234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).