1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol

C18H37NO — CID 79074822

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C18H37NO/c1-6-8-11-16(7-2)13-17(20)18(19(4)5)12-9-10-15(3)14-18/h15-17,20H,6-14H2,1-5H3
InChIKeyMVMGUJQUUJECKX-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.46
Rot. Bonds8

About 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol

1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol (PubChem CID 79074822) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol
PubChem CID79074822
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C18H37NO/c1-6-8-11-16(7-2)13-17(20)18(19(4)5)12-9-10-15(3)14-18/h15-17,20H,6-14H2,1-5H3
InChIKeyMVMGUJQUUJECKX-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063346
1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
CID 107008628
1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol
CID 82920231
1-(1-hydroxypentyl)-3-methylcyclohexane-1-carbonitrile
CID 79133044
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678
1-(1-hydrazinyl-3-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 105243702
1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074927
1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylpentan-1-ol
CID 79066173
1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 114475288
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol (CID 79074822) is 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol is CCCCC(CC)CC(O)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol?
The InChIKey is MVMGUJQUUJECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-8-11-16(7-2)13-17(20)18(19(4)5)12-9-10-15(3)14-18/h15-17,20H,6-14H2,1-5H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol?
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol is sourced from PubChem (CID 79074822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).