N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine

C14H31NO — CID 115891442

IUPACN-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine
SMILESCOCCC(NCCCC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-12(2)13(8-11-16-6)15-10-7-9-14(3,4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyHYKACPCKKJZXAJ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds8

About N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine

N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine (PubChem CID 115891442) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine
PubChem CID115891442
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine
SMILESCOCCC(NCCCC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-12(2)13(8-11-16-6)15-10-7-9-14(3,4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyHYKACPCKKJZXAJ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
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

3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
2-[(1-methoxy-4-methylpentan-3-yl)amino]-N-methylacetamide
CID 115706789
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
CID 115694532
1,5-dimethoxy-2-methyl-N-propylpentan-3-amine
CID 165348363
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
1-methoxy-4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-3-amine
CID 115713992

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine (CID 115891442) is N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine is COCCC(NCCCC(C)(C)C)C(C)C.
What is the InChIKey of N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is HYKACPCKKJZXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)13(8-11-16-6)15-10-7-9-14(3,4)5/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine?
N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115891442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).