N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine

C16H31NO — CID 64766683

IUPACN-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)C1CCOC1
InChIInChI=1S/C16H31NO/c1-5-17-15-10-12(2)6-7-14(15)16(3,4)13-8-9-18-11-13/h12-15,17H,5-11H2,1-4H3
InChIKeyKGRLRWISRZMKDQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine

N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine (PubChem CID 64766683) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
PubChem CID64766683
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)C1CCOC1
InChIInChI=1S/C16H31NO/c1-5-17-15-10-12(2)6-7-14(15)16(3,4)13-8-9-18-11-13/h12-15,17H,5-11H2,1-4H3
InChIKeyKGRLRWISRZMKDQ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
N-ethyl-5-methyl-2-[2-(4-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 64767391
2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine
CID 64766686
N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
CID 64767394
2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
CID 64766423
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
4-tert-butyl-3-(ethylamino)cyclohexan-1-ol
CID 165490862
4-(2-methylpentan-2-yl)oxane
CID 129015452
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
CID 64767574
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine (CID 64766683) is N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine is CCNC1CC(C)CCC1C(C)(C)C1CCOC1.
What is the InChIKey of N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is KGRLRWISRZMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-17-15-10-12(2)6-7-14(15)16(3,4)13-8-9-18-11-13/h12-15,17H,5-11H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine?
N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 64766683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).