1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine

C17H35NO — CID 116764152

IUPAC1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1(OCC)CCCCC1
InChIInChI=1S/C17H35NO/c1-5-18-16(12-10-11-15(3)4)17(19-6-2)13-8-7-9-14-17/h15-16,18H,5-14H2,1-4H3
InChIKeyPLFVENJYRCTNIX-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds9

About 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine

1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 116764152) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID116764152
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1(OCC)CCCCC1
InChIInChI=1S/C17H35NO/c1-5-18-16(12-10-11-15(3)4)17(19-6-2)13-8-7-9-14-17/h15-16,18H,5-14H2,1-4H3
InChIKeyPLFVENJYRCTNIX-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116764007
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
CID 116764086
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
1-(1-ethoxycycloheptyl)-N-ethylhex-4-yn-1-amine
CID 116770947
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine (CID 116764152) is 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is PLFVENJYRCTNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-18-16(12-10-11-15(3)4)17(19-6-2)13-8-7-9-14-17/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine?
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 116764152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).