1-methoxy-3-methyldodecan-3-amine

C14H31NO — CID 62620545

IUPAC1-methoxy-3-methyldodecan-3-amine
SMILESCCCCCCCCCC(C)(N)CCOC
InChIInChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-14(2,15)12-13-16-3/h4-13,15H2,1-3H3
InChIKeyRHXXLOOEPBCTBB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds11

About 1-methoxy-3-methyldodecan-3-amine

1-methoxy-3-methyldodecan-3-amine (PubChem CID 62620545) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-methoxy-3-methyldodecan-3-amine.

Molecular Properties

Compound Name1-methoxy-3-methyldodecan-3-amine
PubChem CID62620545
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-methoxy-3-methyldodecan-3-amine
SMILESCCCCCCCCCC(C)(N)CCOC
InChIInChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-14(2,15)12-13-16-3/h4-13,15H2,1-3H3
InChIKeyRHXXLOOEPBCTBB-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
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

1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005
3-methyloctadecan-3-amine
CID 54058172
7-methoxy-3-methylheptan-3-amine
CID 104650485
2-methyloctane-1,2-diamine
CID 43519506
1,4,4-trimethoxytridecane
CID 150006661
2-amino-2-methylhexadecan-1-ol
CID 87201246
3-amino-3-methyloctan-1-ol
CID 80558733
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
10-tert-butylnonadecan-10-amine
CID 20837586
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653
1-methoxyhexacosane
CID 20780514

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyldodecan-3-amine?
The IUPAC name of 1-methoxy-3-methyldodecan-3-amine (CID 62620545) is 1-methoxy-3-methyldodecan-3-amine.
What is the SMILES notation for 1-methoxy-3-methyldodecan-3-amine?
The canonical SMILES for 1-methoxy-3-methyldodecan-3-amine is CCCCCCCCCC(C)(N)CCOC.
What is the InChIKey of 1-methoxy-3-methyldodecan-3-amine?
The InChIKey is RHXXLOOEPBCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-14(2,15)12-13-16-3/h4-13,15H2,1-3H3.
What are the key properties of 1-methoxy-3-methyldodecan-3-amine?
1-methoxy-3-methyldodecan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyldodecan-3-amine is sourced from PubChem (CID 62620545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).