N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine

C18H23N — CID 79598011

IUPACN-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine
SMILESCC(C)CNCCC=Cc1cccc2ccccc12
InChIInChI=1S/C18H23N/c1-15(2)14-19-13-6-5-9-17-11-7-10-16-8-3-4-12-18(16)17/h3-5,7-12,15,19H,6,13-14H2,1-2H3
InChIKeyAUWKOUOCFPIJOU-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.49
Rot. Bonds6

About N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine

N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine (PubChem CID 79598011) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine
PubChem CID79598011
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine
SMILESCC(C)CNCCC=Cc1cccc2ccccc12
InChIInChI=1S/C18H23N/c1-15(2)14-19-13-6-5-9-17-11-7-10-16-8-3-4-12-18(16)17/h3-5,7-12,15,19H,6,13-14H2,1-2H3
InChIKeyAUWKOUOCFPIJOU-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(2,3,4-trifluorophenyl)but-3-en-1-amine
CID 79598792
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
(E)-4-(7-fluoro-1-benzofuran-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114735292
N-(2-methylpropyl)-4-(4-methyl-3-pyridinyl)but-3-en-1-amine
CID 79598791
N-ethyl-4-isoquinolin-4-ylbut-3-en-1-amine
CID 79593389
(E)-N-(2-methylpropyl)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546333
1-[(Z)-6-chlorohex-1-enyl]naphthalene
CID 11842886
(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598273

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine (CID 79598011) is N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine is CC(C)CNCCC=Cc1cccc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine?
The InChIKey is AUWKOUOCFPIJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-15(2)14-19-13-6-5-9-17-11-7-10-16-8-3-4-12-18(16)17/h3-5,7-12,15,19H,6,13-14H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine?
N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine is sourced from PubChem (CID 79598011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).