3-hexoxybutan-2-amine

C10H23NO — CID 61351969

IUPAC3-hexoxybutan-2-amine
SMILESCCCCCCOC(C)C(C)N
InChIInChI=1S/C10H23NO/c1-4-5-6-7-8-12-10(3)9(2)11/h9-10H,4-8,11H2,1-3H3
InChIKeyNZJSEZNOHKFKLS-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds7

About 3-hexoxybutan-2-amine

3-hexoxybutan-2-amine (PubChem CID 61351969) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-hexoxybutan-2-amine.

Molecular Properties

Compound Name3-hexoxybutan-2-amine
PubChem CID61351969
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-hexoxybutan-2-amine
SMILESCCCCCCOC(C)C(C)N
InChIInChI=1S/C10H23NO/c1-4-5-6-7-8-12-10(3)9(2)11/h9-10H,4-8,11H2,1-3H3
InChIKeyNZJSEZNOHKFKLS-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
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

2-(Cyclohexyloxy)cyclopropan-1-amine
CID 21135
rac-(1R,2R)-2-ethoxycycloheptan-1-amine
CID 30818327
(2-Aminoethoxy)cyclohexane hydrochloride
CID 45791930
1-(Oxetan-2-yl)propan-1-amine
CID 84063992
trans-(+-)-2-Cyclohexyloxycyclopropylamine
CID 23618371
rac-(1R,2R)-2-ethoxycyclohexan-1-amine
CID 36689169
2-Methoxyheptan-1-amine
CID 54437910
trans-2-Ethoxy-cyclohexylamine hydrochloride
CID 66589139
2-(Cyclohexyloxy)ethylamine
CID 16789183
1-Butoxy-1-fluorohexan-2-amine
CID 139846232
trans-2-Cyclohexyloxycyclopropyl-amine
CID 53990890
3,3,3-Trifluoro-2-hexoxypropan-1-amine
CID 43752962

Frequently Asked Questions

What is the IUPAC name of 3-hexoxybutan-2-amine?
The IUPAC name of 3-hexoxybutan-2-amine (CID 61351969) is 3-hexoxybutan-2-amine.
What is the SMILES notation for 3-hexoxybutan-2-amine?
The canonical SMILES for 3-hexoxybutan-2-amine is CCCCCCOC(C)C(C)N.
What is the InChIKey of 3-hexoxybutan-2-amine?
The InChIKey is NZJSEZNOHKFKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-6-7-8-12-10(3)9(2)11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-hexoxybutan-2-amine?
3-hexoxybutan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxybutan-2-amine is sourced from PubChem (CID 61351969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).