N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine

C13H29NO — CID 115634032

IUPACN-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine
SMILESCOCCCCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H29NO/c1-12(2,3)11-13(4,5)14-9-7-8-10-15-6/h14H,7-11H2,1-6H3
InChIKeyKHFRFWTXZMVPFA-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds7

About N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine

N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 115634032) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine
PubChem CID115634032
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine
SMILESCOCCCCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H29NO/c1-12(2,3)11-13(4,5)14-9-7-8-10-15-6/h14H,7-11H2,1-6H3
InChIKeyKHFRFWTXZMVPFA-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 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 ≤ 53.22
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

N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
N-(2-ethenoxyethyl)-2,4,4-trimethylpentan-2-amine
CID 87213619
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
CID 104649741
N-(2-bromoethyl)-2,4,4-trimethylpentan-2-amine
CID 91622619
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
1-methoxy-N-[2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 103179461
1-methoxy-N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 115609446
N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
3,3,3-trifluoro-2-(4-methoxybutylamino)-2-methylpropanoic acid
CID 104648495
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine (CID 115634032) is N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine is COCCCCNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is KHFRFWTXZMVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2,3)11-13(4,5)14-9-7-8-10-15-6/h14H,7-11H2,1-6H3.
What are the key properties of N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine?
N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 115634032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).