N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine

C17H35NO — CID 116761289

IUPACN,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
SMILESCCNC(C1CCCCC1CC)C(CC)(CC)OC
InChIInChI=1S/C17H35NO/c1-6-14-12-10-11-13-15(14)16(18-9-4)17(7-2,8-3)19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyAHISTPHTSJIBGD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds8

About N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine

N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine (PubChem CID 116761289) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
PubChem CID116761289
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
SMILESCCNC(C1CCCCC1CC)C(CC)(CC)OC
InChIInChI=1S/C17H35NO/c1-6-14-12-10-11-13-15(14)16(18-9-4)17(7-2,8-3)19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyAHISTPHTSJIBGD-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine (CID 116761289) is N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine is CCNC(C1CCCCC1CC)C(CC)(CC)OC.
What is the InChIKey of N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine?
The InChIKey is AHISTPHTSJIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-14-12-10-11-13-15(14)16(18-9-4)17(7-2,8-3)19-5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine?
N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116761289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).