N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine

C17H25N — CID 142108454

IUPACN-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccccc1C(=C)C(C)CCC
InChIInChI=1S/C17H25N/c1-5-9-14(3)15(4)17-11-8-7-10-16(17)13-18-12-6-2/h6-8,10-11,14,18H,2,4-5,9,12-13H2,1,3H3
InChIKeyLFMYZFDCWVZKLX-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.41
Rot. Bonds8

About N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine

N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine (PubChem CID 142108454) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine
PubChem CID142108454
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccccc1C(=C)C(C)CCC
InChIInChI=1S/C17H25N/c1-5-9-14(3)15(4)17-11-8-7-10-16(17)13-18-12-6-2/h6-8,10-11,14,18H,2,4-5,9,12-13H2,1,3H3
InChIKeyLFMYZFDCWVZKLX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine 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

[2-(3-methylhex-1-en-2-yl)phenyl]methanol
CID 142108437
N-[(2-phenylphenyl)methyl]prop-2-en-1-amine
CID 90242469
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
methyl 2-[2-[(prop-2-enylamino)methyl]phenyl]acetate
CID 115461356
N-[(2-bromophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 75357741
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093
2-[(but-3-en-2-ylamino)methyl]benzoic acid
CID 103264945
N-[[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methyl]ethanamine
CID 143312340
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
2-methyl-N-phenylpentanamide
CID 4627801
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine (CID 142108454) is N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine is C=CCNCc1ccccc1C(=C)C(C)CCC.
What is the InChIKey of N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine?
The InChIKey is LFMYZFDCWVZKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-9-14(3)15(4)17-11-8-7-10-16(17)13-18-12-6-2/h6-8,10-11,14,18H,2,4-5,9,12-13H2,1,3H3.
What are the key properties of N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine?
N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylhex-1-en-2-yl)phenyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 142108454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).