N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine

C15H29NO — CID 116521499

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2CCC(C)(C)O2)C1
InChIInChI=1S/C15H29NO/c1-4-12-6-5-7-13(10-12)16-11-14-8-9-15(2,3)17-14/h12-14,16H,4-11H2,1-3H3
InChIKeyXORXZASOWNAFLV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds4

About N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 116521499) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID116521499
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2CCC(C)(C)O2)C1
InChIInChI=1S/C15H29NO/c1-4-12-6-5-7-13(10-12)16-11-14-8-9-15(2,3)17-14/h12-14,16H,4-11H2,1-3H3
InChIKeyXORXZASOWNAFLV-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
CID 103699452
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 116521533
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane
CID 116523345
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine (CID 116521499) is N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCC2CCC(C)(C)O2)C1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is XORXZASOWNAFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-12-6-5-7-13(10-12)16-11-14-8-9-15(2,3)17-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 116521499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).