1-cyclohexyloxypropan-2-amine

C9H19NO — CID 16794394

IUPAC1-cyclohexyloxypropan-2-amine
SMILESCC(N)COC1CCCCC1
InChIInChI=1S/C9H19NO/c1-8(10)7-11-9-5-3-2-4-6-9/h8-9H,2-7,10H2,1H3
InChIKeyHMPWCPJPQAXZBX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds3

About 1-cyclohexyloxypropan-2-amine

1-cyclohexyloxypropan-2-amine (PubChem CID 16794394) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-cyclohexyloxypropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyloxypropan-2-amine
PubChem CID16794394
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-cyclohexyloxypropan-2-amine
SMILESCC(N)COC1CCCCC1
InChIInChI=1S/C9H19NO/c1-8(10)7-11-9-5-3-2-4-6-9/h8-9H,2-7,10H2,1H3
InChIKeyHMPWCPJPQAXZBX-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclohexyloxy)propan-1-amine
CID 4962869
2-(Cyclohexyloxy)cyclopropan-1-amine
CID 21135
4-Propoxycyclohexanamine
CID 21882551
rac-(1R,2R)-2-methoxycyclohexan-1-amine
CID 28121869
rac-(1R,2S)-2-methoxycyclohexan-1-amine hydrochloride
CID 67541561
2-Methoxycyclohexan-1-amine
CID 22250879
Trans-4-isopropoxycyclohexanamine
CID 54368474
rac-(1R,2R)-2-(2-methoxyethoxy)cyclohexan-1-amine
CID 28148615
(2-Aminoethoxy)cyclohexane hydrochloride
CID 45791930
(1R,2R)-2-(tert-butoxy)cyclohexan-1-amine hydrochloride
CID 137945227
(1S,2S)-2-(tert-butoxy)cyclohexan-1-amine hydrochloride
CID 137945228
4-Ethoxycyclohexanamine
CID 232633

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxypropan-2-amine?
The IUPAC name of 1-cyclohexyloxypropan-2-amine (CID 16794394) is 1-cyclohexyloxypropan-2-amine.
What is the SMILES notation for 1-cyclohexyloxypropan-2-amine?
The canonical SMILES for 1-cyclohexyloxypropan-2-amine is CC(N)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxypropan-2-amine?
The InChIKey is HMPWCPJPQAXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(10)7-11-9-5-3-2-4-6-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexyloxypropan-2-amine?
1-cyclohexyloxypropan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxypropan-2-amine is sourced from PubChem (CID 16794394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).