1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine

C17H33NO — CID 116764224

IUPAC1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1(OCC)CCCCC1
InChIInChI=1S/C17H33NO/c1-4-7-9-12-16(18-15-5-2)17(19-6-3)13-10-8-11-14-17/h4,16,18H,1,5-15H2,2-3H3
InChIKeyMLWJEYMUELGHNR-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds10

About 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine

1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine (PubChem CID 116764224) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
PubChem CID116764224
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1(OCC)CCCCC1
InChIInChI=1S/C17H33NO/c1-4-7-9-12-16(18-15-5-2)17(19-6-3)13-10-8-11-14-17/h4,16,18H,1,5-15H2,2-3H3
InChIKeyMLWJEYMUELGHNR-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 116764230
1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114476070
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
CID 106830165
1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
CID 107009741

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine (CID 116764224) is 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine?
The InChIKey is MLWJEYMUELGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-7-9-12-16(18-15-5-2)17(19-6-3)13-10-8-11-14-17/h4,16,18H,1,5-15H2,2-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine?
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 116764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).