1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine

C16H31N — CID 105039575

IUPAC1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1CCCCCC1)NCC
InChIInChI=1S/C16H31N/c1-4-17-16(12-11-14(2)3)13-15-9-7-5-6-8-10-15/h15-17H,2,4-13H2,1,3H3
InChIKeyYYJSNECMLDZJSU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.68
Rot. Bonds7

About 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine

1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine (PubChem CID 105039575) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
PubChem CID105039575
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1CCCCCC1)NCC
InChIInChI=1S/C16H31N/c1-4-17-16(12-11-14(2)3)13-15-9-7-5-6-8-10-15/h15-17H,2,4-13H2,1,3H3
InChIKeyYYJSNECMLDZJSU-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.68
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

(1-cyclobutyl-5-methylhex-5-en-2-yl)hydrazine
CID 103170793
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cycloheptyl-N-ethyl-3-methylbut-3-en-2-amine
CID 105005423
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346595
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985
1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
N-ethyl-1-methoxy-6-methylhept-6-en-3-amine
CID 114474356
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine?
The IUPAC name of 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine (CID 105039575) is 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine is C=C(C)CCC(CC1CCCCCC1)NCC.
What is the InChIKey of 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine?
The InChIKey is YYJSNECMLDZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-17-16(12-11-14(2)3)13-15-9-7-5-6-8-10-15/h15-17H,2,4-13H2,1,3H3.
What are the key properties of 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine?
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine is sourced from PubChem (CID 105039575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).