3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine

C12H25N — CID 165497815

IUPAC3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCC1CC(NC)CCC1C(C)C
InChIInChI=1S/C12H25N/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyGDLBDFFWZURJFJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds3

About 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine

3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 165497815) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID165497815
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCC1CC(NC)CCC1C(C)C
InChIInChI=1S/C12H25N/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyGDLBDFFWZURJFJ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-diethyl-N-methylcyclohexan-1-amine
CID 165498630
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 163871829
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
1,2-diethyl-3-propan-2-ylcyclopentane
CID 123700425
carbon dioxide;1-ethyl-2-propan-2-ylcyclopropane
CID 158990668
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893
3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine
CID 165498628
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
2-ethyl-4-methyl-1-propan-2-ylcyclohexane;formamido acetate
CID 87523406
1-ethyl-3-propan-2-yl-2-propylcyclopentane
CID 143346361

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 165497815) is 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine is CCC1CC(NC)CCC1C(C)C.
What is the InChIKey of 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GDLBDFFWZURJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 165497815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).