1-cyclopropyl-3-methoxyhexan-2-amine

C10H21NO — CID 116718581

IUPAC1-cyclopropyl-3-methoxyhexan-2-amine
SMILESCCCC(OC)C(N)CC1CC1
InChIInChI=1S/C10H21NO/c1-3-4-10(12-2)9(11)7-8-5-6-8/h8-10H,3-7,11H2,1-2H3
InChIKeyLKUUKVDXGVEIGK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds6

About 1-cyclopropyl-3-methoxyhexan-2-amine

1-cyclopropyl-3-methoxyhexan-2-amine (PubChem CID 116718581) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-methoxyhexan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-methoxyhexan-2-amine
PubChem CID116718581
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-cyclopropyl-3-methoxyhexan-2-amine
SMILESCCCC(OC)C(N)CC1CC1
InChIInChI=1S/C10H21NO/c1-3-4-10(12-2)9(11)7-8-5-6-8/h8-10H,3-7,11H2,1-2H3
InChIKeyLKUUKVDXGVEIGK-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexyl-3-methoxyhexan-2-yl)hydrazine
CID 105271682
1-cyclopropylpentan-2-amine
CID 64905685
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
CID 116718854
3-methoxy-1-propoxyhexan-2-amine
CID 116718707
1-cyclopropyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724204
1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
CID 116718958
(1-cycloheptyl-2-methoxypentyl)hydrazine
CID 105271706
3-methoxy-2-methylhexane
CID 23384964
1-cyclopropyl-4-propoxybutan-2-amine
CID 105152821
2-methoxy-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 116718856
1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
CID 116718955

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methoxyhexan-2-amine?
The IUPAC name of 1-cyclopropyl-3-methoxyhexan-2-amine (CID 116718581) is 1-cyclopropyl-3-methoxyhexan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-methoxyhexan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-methoxyhexan-2-amine is CCCC(OC)C(N)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-methoxyhexan-2-amine?
The InChIKey is LKUUKVDXGVEIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-10(12-2)9(11)7-8-5-6-8/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-methoxyhexan-2-amine?
1-cyclopropyl-3-methoxyhexan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methoxyhexan-2-amine is sourced from PubChem (CID 116718581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).