3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine

C14H31NO — CID 139542606

IUPAC3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine
SMILESCCCCCC(C)(N)CCOC(C)(C)CC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-14(5,15)11-12-16-13(3,4)7-2/h6-12,15H2,1-5H3
InChIKeyNKBDPMQKIGENQF-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds9

About 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine

3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine (PubChem CID 139542606) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine
PubChem CID139542606
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine
SMILESCCCCCC(C)(N)CCOC(C)(C)CC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-14(5,15)11-12-16-13(3,4)7-2/h6-12,15H2,1-5H3
InChIKeyNKBDPMQKIGENQF-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-(2-Ethoxyethyl)cyclopentan-1-amine
CID 62620858
1-Methyl-3-(trifluoromethoxy)cyclododecan-1-amine
CID 156054852
7-Ethoxy-3-ethyldecan-3-amine
CID 57119536
1-Ethoxy-3-(2-ethoxyethyl)icosan-3-amine
CID 57296414
2-Methyl-1-(oxolan-2-yl)propan-2-amine
CID 57878575
1-(Oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62620303
5-Butyl-6-(methoxymethyl)decan-5-amine
CID 87262947
4-Ethoxy-4-methyldecan-1-amine
CID 87919425
1-Methoxy-3-(2-methoxyethyl)octan-3-amine
CID 88322863
3-Ethyl-10-(3-octyloxiran-2-yl)decan-3-amine
CID 88520744
5-Methoxy-3,5-dimethylheptan-3-amine
CID 123345739
4-(2,4-Dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine
CID 123626972

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine?
The IUPAC name of 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine (CID 139542606) is 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine.
What is the SMILES notation for 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine?
The canonical SMILES for 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine is CCCCCC(C)(N)CCOC(C)(C)CC.
What is the InChIKey of 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine?
The InChIKey is NKBDPMQKIGENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-9-10-14(5,15)11-12-16-13(3,4)7-2/h6-12,15H2,1-5H3.
What are the key properties of 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine?
3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutan-2-yloxy)octan-3-amine is sourced from PubChem (CID 139542606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).