3-hexan-2-yl-2-methoxynonan-1-amine

C16H35NO — CID 123562307

IUPAC3-hexan-2-yl-2-methoxynonan-1-amine
SMILESCCCCCCC(C(C)CCCC)C(CN)OC
InChIInChI=1S/C16H35NO/c1-5-7-9-10-12-15(16(13-17)18-4)14(3)11-8-6-2/h14-16H,5-13,17H2,1-4H3
InChIKeyMFXUYEOJBGZCOZ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.37
Rot. Bonds12

About 3-hexan-2-yl-2-methoxynonan-1-amine

3-hexan-2-yl-2-methoxynonan-1-amine (PubChem CID 123562307) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-hexan-2-yl-2-methoxynonan-1-amine.

Molecular Properties

Compound Name3-hexan-2-yl-2-methoxynonan-1-amine
PubChem CID123562307
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-hexan-2-yl-2-methoxynonan-1-amine
SMILESCCCCCCC(C(C)CCCC)C(CN)OC
InChIInChI=1S/C16H35NO/c1-5-7-9-10-12-15(16(13-17)18-4)14(3)11-8-6-2/h14-16H,5-13,17H2,1-4H3
InChIKeyMFXUYEOJBGZCOZ-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.37
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

11-butyl-8,10,12-trimethyl-9-pentyltricosane
CID 123560008
2,3-dimethylpentadecan-1-amine
CID 81010439
3-butan-2-yltetradecan-2-amine
CID 175063584
1-fluoro-3,4-dimethoxypentadecane
CID 174316150
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
5,6,14,15-tetramethylnonadecane
CID 123473711
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
1-amino-3-methylundecan-2-ol
CID 123763620
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695

Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-2-methoxynonan-1-amine?
The IUPAC name of 3-hexan-2-yl-2-methoxynonan-1-amine (CID 123562307) is 3-hexan-2-yl-2-methoxynonan-1-amine.
What is the SMILES notation for 3-hexan-2-yl-2-methoxynonan-1-amine?
The canonical SMILES for 3-hexan-2-yl-2-methoxynonan-1-amine is CCCCCCC(C(C)CCCC)C(CN)OC.
What is the InChIKey of 3-hexan-2-yl-2-methoxynonan-1-amine?
The InChIKey is MFXUYEOJBGZCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-7-9-10-12-15(16(13-17)18-4)14(3)11-8-6-2/h14-16H,5-13,17H2,1-4H3.
What are the key properties of 3-hexan-2-yl-2-methoxynonan-1-amine?
3-hexan-2-yl-2-methoxynonan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-2-methoxynonan-1-amine is sourced from PubChem (CID 123562307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).