N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine

C16H35NO — CID 171725800

IUPACN-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
SMILESCC(C)CCN(C)CCCCCCCOC(C)C
InChIInChI=1S/C16H35NO/c1-15(2)11-13-17(5)12-9-7-6-8-10-14-18-16(3)4/h15-16H,6-14H2,1-5H3
InChIKeyFIMRUIMAJFFNDO-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.34
Rot. Bonds12

About N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine

N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine (PubChem CID 171725800) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
PubChem CID171725800
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
SMILESCC(C)CCN(C)CCCCCCCOC(C)C
InChIInChI=1S/C16H35NO/c1-15(2)11-13-17(5)12-9-7-6-8-10-14-18-16(3)4/h15-16H,6-14H2,1-5H3
InChIKeyFIMRUIMAJFFNDO-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
1,6-di(propan-2-yloxy)hexane
CID 10899702
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
2,8-dimethylnonane;1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157236499
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
CID 107204197
N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107871434
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
1-methyl-1-(3-propan-2-yloxypropyl)hydrazine
CID 130815808

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine (CID 171725800) is N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine is CC(C)CCN(C)CCCCCCCOC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine?
The InChIKey is FIMRUIMAJFFNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-15(2)11-13-17(5)12-9-7-6-8-10-14-18-16(3)4/h15-16H,6-14H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine?
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine is sourced from PubChem (CID 171725800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).