N-hexyl-2,3-dimethyloxolan-3-amine

C12H25NO — CID 103581298

IUPACN-hexyl-2,3-dimethyloxolan-3-amine
SMILESCCCCCCNC1(C)CCOC1C
InChIInChI=1S/C12H25NO/c1-4-5-6-7-9-13-12(3)8-10-14-11(12)2/h11,13H,4-10H2,1-3H3
InChIKeyKXXIGAWIGDRNRN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds6

About N-hexyl-2,3-dimethyloxolan-3-amine

N-hexyl-2,3-dimethyloxolan-3-amine (PubChem CID 103581298) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-hexyl-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-hexyl-2,3-dimethyloxolan-3-amine
PubChem CID103581298
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-hexyl-2,3-dimethyloxolan-3-amine
SMILESCCCCCCNC1(C)CCOC1C
InChIInChI=1S/C12H25NO/c1-4-5-6-7-9-13-12(3)8-10-14-11(12)2/h11,13H,4-10H2,1-3H3
InChIKeyKXXIGAWIGDRNRN-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
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

N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine
CID 103581433
N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine
CID 103581461
N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine
CID 103581457
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
CID 124681147
2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103581336
N-(2-cyclohexylethyl)-2,3-dimethyloxolan-3-amine
CID 103529185
3-[(2,3-dimethyloxolan-3-yl)amino]-N,N-dimethylpropanamide
CID 103581108
N-(cyclobutylmethyl)-2,3-dimethyloxolan-3-amine
CID 103581449
1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
CID 103581424
(2R,3R)-N-[(3,3-difluorocyclobutyl)methyl]-2,3-dimethyloxolan-3-amine
CID 129348543

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-hexyl-2,3-dimethyloxolan-3-amine (CID 103581298) is N-hexyl-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-hexyl-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-hexyl-2,3-dimethyloxolan-3-amine is CCCCCCNC1(C)CCOC1C.
What is the InChIKey of N-hexyl-2,3-dimethyloxolan-3-amine?
The InChIKey is KXXIGAWIGDRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-7-9-13-12(3)8-10-14-11(12)2/h11,13H,4-10H2,1-3H3.
What are the key properties of N-hexyl-2,3-dimethyloxolan-3-amine?
N-hexyl-2,3-dimethyloxolan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).