1-cycloheptyl-N-propylhept-5-yn-2-amine

C17H31N — CID 105037098

IUPAC1-cycloheptyl-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(CC1CCCCCC1)NCCC
InChIInChI=1S/C17H31N/c1-3-5-8-13-17(18-14-4-2)15-16-11-9-6-7-10-12-16/h16-18H,4,6-15H2,1-2H3
InChIKeyXOVBUKYTVUTVFA-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.52
Rot. Bonds7

About 1-cycloheptyl-N-propylhept-5-yn-2-amine

1-cycloheptyl-N-propylhept-5-yn-2-amine (PubChem CID 105037098) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-cycloheptyl-N-propylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-propylhept-5-yn-2-amine
PubChem CID105037098
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-cycloheptyl-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(CC1CCCCCC1)NCCC
InChIInChI=1S/C17H31N/c1-3-5-8-13-17(18-14-4-2)15-16-11-9-6-7-10-12-16/h16-18H,4,6-15H2,1-2H3
InChIKeyXOVBUKYTVUTVFA-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.52
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-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
N-propylnon-1-en-7-yn-4-amine
CID 116661079
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-propylhept-5-yn-2-amine?
The IUPAC name of 1-cycloheptyl-N-propylhept-5-yn-2-amine (CID 105037098) is 1-cycloheptyl-N-propylhept-5-yn-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-propylhept-5-yn-2-amine?
The canonical SMILES for 1-cycloheptyl-N-propylhept-5-yn-2-amine is CC#CCCC(CC1CCCCCC1)NCCC.
What is the InChIKey of 1-cycloheptyl-N-propylhept-5-yn-2-amine?
The InChIKey is XOVBUKYTVUTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-5-8-13-17(18-14-4-2)15-16-11-9-6-7-10-12-16/h16-18H,4,6-15H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-propylhept-5-yn-2-amine?
1-cycloheptyl-N-propylhept-5-yn-2-amine has a molecular weight of 249.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-propylhept-5-yn-2-amine is sourced from PubChem (CID 105037098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).