1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine

C17H33NO — CID 114476070

IUPAC1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)C1(OCC)CCCCC1
InChIInChI=1S/C17H33NO/c1-5-14-18-16(11-10-15(3)4)17(19-6-2)12-8-7-9-13-17/h16,18H,3,5-14H2,1-2,4H3
InChIKeyBEVIAQQQDUEORV-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds9

About 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine

1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 114476070) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID114476070
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)C1(OCC)CCCCC1
InChIInChI=1S/C17H33NO/c1-5-14-18-16(11-10-15(3)4)17(19-6-2)12-8-7-9-13-17/h16,18H,3,5-14H2,1-2,4H3
InChIKeyBEVIAQQQDUEORV-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(1-ethoxycyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105276293
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114476115
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 116764230
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
1-(1-methoxycyclopentyl)-3-methyl-N-propylbut-3-en-1-amine
CID 104611348
[1-(4-ethoxyoxan-4-yl)-4-methylpent-4-enyl]hydrazine
CID 105276837
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402
1-(1-ethoxycycloheptyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 116771119
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine (CID 114476070) is 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is BEVIAQQQDUEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-14-18-16(11-10-15(3)4)17(19-6-2)12-8-7-9-13-17/h16,18H,3,5-14H2,1-2,4H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114476070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).