1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine

C14H29NO — CID 62407006

IUPAC1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCCC(NCCOC(C)C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-14(13-8-6-5-7-9-13)15-10-11-16-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLUXJJOIQWMMOAM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine

1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine (PubChem CID 62407006) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
PubChem CID62407006
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCCC(NCCOC(C)C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-14(13-8-6-5-7-9-13)15-10-11-16-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLUXJJOIQWMMOAM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-cyclohexyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706234
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
propan-2-yl 2-(1-cyclohexylpropylamino)acetate
CID 62405403

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine (CID 62407006) is 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine is CCC(NCCOC(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The InChIKey is LUXJJOIQWMMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-14(13-8-6-5-7-9-13)15-10-11-16-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 62407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).