4-methoxy-4,5,7-trimethylnonan-3-amine

C13H29NO — CID 123550932

IUPAC4-methoxy-4,5,7-trimethylnonan-3-amine
SMILESCCC(C)CC(C)C(C)(OC)C(N)CC
InChIInChI=1S/C13H29NO/c1-7-10(3)9-11(4)13(5,15-6)12(14)8-2/h10-12H,7-9,14H2,1-6H3
InChIKeyVNSLCFOBMCPANR-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.20
Rot. Bonds7

About 4-methoxy-4,5,7-trimethylnonan-3-amine

4-methoxy-4,5,7-trimethylnonan-3-amine (PubChem CID 123550932) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-methoxy-4,5,7-trimethylnonan-3-amine.

Molecular Properties

Compound Name4-methoxy-4,5,7-trimethylnonan-3-amine
PubChem CID123550932
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-methoxy-4,5,7-trimethylnonan-3-amine
SMILESCCC(C)CC(C)C(C)(OC)C(N)CC
InChIInChI=1S/C13H29NO/c1-7-10(3)9-11(4)13(5,15-6)12(14)8-2/h10-12H,7-9,14H2,1-6H3
InChIKeyVNSLCFOBMCPANR-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-methylnonan-1-amine
CID 66072171
1-(3,3-Difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine
CID 114224951
8,8,8-Trifluoro-3-methoxy-3-methyloctan-4-amine
CID 116757393
3-Ethyl-8,8,8-trifluoro-3-methoxyoctan-4-amine
CID 116760595
1-(1-Methoxycyclohexyl)ethanamine
CID 21834850
(3R)-2-methoxy-2,5-dimethylhexan-3-amine
CID 57790342
(3S)-2-methoxy-2,5-dimethylhexan-3-amine
CID 57790986
4-Methoxy-5,6-dimethyloctan-3-amine
CID 59957248
4-Methoxy-5,6-dimethylnonadecan-3-amine
CID 59957249
(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 71160951
1-(2-Ethyloxiran-2-yl)pentan-1-amine
CID 88196460
8-Methoxy-4,8-dimethylnonan-1-amine
CID 88258649

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4,5,7-trimethylnonan-3-amine?
The IUPAC name of 4-methoxy-4,5,7-trimethylnonan-3-amine (CID 123550932) is 4-methoxy-4,5,7-trimethylnonan-3-amine.
What is the SMILES notation for 4-methoxy-4,5,7-trimethylnonan-3-amine?
The canonical SMILES for 4-methoxy-4,5,7-trimethylnonan-3-amine is CCC(C)CC(C)C(C)(OC)C(N)CC.
What is the InChIKey of 4-methoxy-4,5,7-trimethylnonan-3-amine?
The InChIKey is VNSLCFOBMCPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-10(3)9-11(4)13(5,15-6)12(14)8-2/h10-12H,7-9,14H2,1-6H3.
What are the key properties of 4-methoxy-4,5,7-trimethylnonan-3-amine?
4-methoxy-4,5,7-trimethylnonan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4,5,7-trimethylnonan-3-amine is sourced from PubChem (CID 123550932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).