N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine

C13H29NO — CID 106454538

IUPACN,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
SMILESCNC(CCCOCC(C)C)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-13(14-5)7-6-8-15-10-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyQFHQNYZQVQBIMI-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds9

About N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine

N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine (PubChem CID 106454538) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
PubChem CID106454538
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
SMILESCNC(CCCOCC(C)C)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-13(14-5)7-6-8-15-10-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyQFHQNYZQVQBIMI-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
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,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
N-methyl-3-[3-(2-methylpropoxy)propoxy]propan-1-amine
CID 156523770
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
CID 106447159

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine?
The IUPAC name of N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine (CID 106454538) is N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine.
What is the SMILES notation for N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine?
The canonical SMILES for N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine is CNC(CCCOCC(C)C)CC(C)C.
What is the InChIKey of N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine?
The InChIKey is QFHQNYZQVQBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)9-13(14-5)7-6-8-15-10-12(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine?
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine is sourced from PubChem (CID 106454538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).