N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine

C17H31N — CID 104806072

IUPACN-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H31N/c1-5-7-8-9-17(18-6-2)16-12-10-15(11-13-16)14(3)4/h14-18H,6,8-13H2,1-4H3
InChIKeyLJFOWWCINFDORZ-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds6

About N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine

N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine (PubChem CID 104806072) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
PubChem CID104806072
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H31N/c1-5-7-8-9-17(18-6-2)16-12-10-15(11-13-16)14(3)4/h14-18H,6,8-13H2,1-4H3
InChIKeyLJFOWWCINFDORZ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.23
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-cyclobutyl-N-ethylhex-4-yn-1-amine
CID 104805822
N-ethyl-5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161156
N-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)hex-4-yn-1-amine
CID 114097394
N-ethyl-1-(5-methyloxolan-2-yl)hex-4-yn-1-amine
CID 105037340
1-cyclobutyl-N-ethylpent-3-yn-1-amine
CID 64986404
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hex-4-yn-1-amine
CID 104807202
1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine
CID 105232751
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
1-(oxan-4-yl)hex-4-ynylhydrazine
CID 105229710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine (CID 104806072) is N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine is CC#CCCC(NCC)C1CCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine?
The InChIKey is LJFOWWCINFDORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-5-7-8-9-17(18-6-2)16-12-10-15(11-13-16)14(3)4/h14-18H,6,8-13H2,1-4H3.
What are the key properties of N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine?
N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine is sourced from PubChem (CID 104806072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).