N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine

C17H21N — CID 114474538

IUPACN,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cccc2ccccc12
InChIInChI=1S/C17H21N/c1-13(2)11-12-17(18-3)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17-18H,1,11-12H2,2-3H3
InChIKeyNWGQFMZFHRJLHJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.46
Rot. Bonds5

About N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine

N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine (PubChem CID 114474538) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
PubChem CID114474538
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cccc2ccccc12
InChIInChI=1S/C17H21N/c1-13(2)11-12-17(18-3)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17-18H,1,11-12H2,2-3H3
InChIKeyNWGQFMZFHRJLHJ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.46
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

N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-(3-chloro-2-fluorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474819
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
CID 112688299
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
3-ethyl-N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 82923409
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
2-methyl-3-[2-(methylamino)-2-naphthalen-1-ylethyl]sulfanylpropan-1-ol
CID 66102804
2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 66232471

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine?
The IUPAC name of N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine (CID 114474538) is N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine.
What is the SMILES notation for N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine?
The canonical SMILES for N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine is C=C(C)CCC(NC)c1cccc2ccccc12.
What is the InChIKey of N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine?
The InChIKey is NWGQFMZFHRJLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13(2)11-12-17(18-3)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17-18H,1,11-12H2,2-3H3.
What are the key properties of N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine?
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine is sourced from PubChem (CID 114474538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).