N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine

C15H29NO — CID 65328191

IUPACN-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1CCCO1
InChIInChI=1S/C15H29NO/c1-4-16-15(14-6-5-9-17-14)13-8-7-11(2)12(3)10-13/h11-16H,4-10H2,1-3H3
InChIKeyKQVADIZCMAPQOS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds4

About N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine

N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine (PubChem CID 65328191) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine
PubChem CID65328191
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1CCCO1
InChIInChI=1S/C15H29NO/c1-4-16-15(14-6-5-9-17-14)13-8-7-11(2)12(3)10-13/h11-16H,4-10H2,1-3H3
InChIKeyKQVADIZCMAPQOS-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331
N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963050
N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 104989358
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092980
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine (CID 65328191) is N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine is CCNC(C1CCC(C)C(C)C1)C1CCCO1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine?
The InChIKey is KQVADIZCMAPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-16-15(14-6-5-9-17-14)13-8-7-11(2)12(3)10-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 65328191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).