1-(4-methylphenyl)-N-propylhept-5-yn-2-amine

C17H25N — CID 104805231

IUPAC1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccc(C)cc1)NCCC
InChIInChI=1S/C17H25N/c1-4-6-7-8-17(18-13-5-2)14-16-11-9-15(3)10-12-16/h9-12,17-18H,5,7-8,13-14H2,1-3H3
InChIKeySKSRLPVWVWYZJJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.71
Rot. Bonds7

About 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine

1-(4-methylphenyl)-N-propylhept-5-yn-2-amine (PubChem CID 104805231) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
PubChem CID104805231
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccc(C)cc1)NCCC
InChIInChI=1S/C17H25N/c1-4-6-7-8-17(18-13-5-2)14-16-11-9-15(3)10-12-16/h9-12,17-18H,5,7-8,13-14H2,1-3H3
InChIKeySKSRLPVWVWYZJJ-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
N-propyldodec-2-yn-6-amine
CID 105037370
N-propylheptadec-2-yn-6-amine
CID 105037149
1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine
CID 105197717
1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
CID 105195601
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine?
The IUPAC name of 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine (CID 104805231) is 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine is CC#CCCC(Cc1ccc(C)cc1)NCCC.
What is the InChIKey of 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine?
The InChIKey is SKSRLPVWVWYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-6-7-8-17(18-13-5-2)14-16-11-9-15(3)10-12-16/h9-12,17-18H,5,7-8,13-14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine?
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-propylhept-5-yn-2-amine is sourced from PubChem (CID 104805231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).