N,5-dimethyl-1-propoxyheptan-3-amine

C12H27NO — CID 105138301

IUPACN,5-dimethyl-1-propoxyheptan-3-amine
SMILESCCCOCCC(CC(C)CC)NC
InChIInChI=1S/C12H27NO/c1-5-8-14-9-7-12(13-4)10-11(3)6-2/h11-13H,5-10H2,1-4H3
InChIKeyUYAHNHIKRCGJPH-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds9

About N,5-dimethyl-1-propoxyheptan-3-amine

N,5-dimethyl-1-propoxyheptan-3-amine (PubChem CID 105138301) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,5-dimethyl-1-propoxyheptan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-propoxyheptan-3-amine
PubChem CID105138301
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,5-dimethyl-1-propoxyheptan-3-amine
SMILESCCCOCCC(CC(C)CC)NC
InChIInChI=1S/C12H27NO/c1-5-8-14-9-7-12(13-4)10-11(3)6-2/h11-13H,5-10H2,1-4H3
InChIKeyUYAHNHIKRCGJPH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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

(5-methyl-1-propoxyheptan-3-yl)hydrazine
CID 105298541
3-methyl-1-propoxypentane
CID 123388243
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
N,3-dimethylundecan-5-amine
CID 115833416
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
4-ethyl-N-methyl-1-propoxyhexan-3-amine
CID 105168465
1-cyclopentyl-N,5-dimethylheptan-3-amine
CID 115846256
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
7-ethyl-N,3-dimethylundecan-5-amine
CID 115806113
N-methyl-1-phenyl-4-propoxybutan-2-amine
CID 105084507
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-propoxyheptan-3-amine?
The IUPAC name of N,5-dimethyl-1-propoxyheptan-3-amine (CID 105138301) is N,5-dimethyl-1-propoxyheptan-3-amine.
What is the SMILES notation for N,5-dimethyl-1-propoxyheptan-3-amine?
The canonical SMILES for N,5-dimethyl-1-propoxyheptan-3-amine is CCCOCCC(CC(C)CC)NC.
What is the InChIKey of N,5-dimethyl-1-propoxyheptan-3-amine?
The InChIKey is UYAHNHIKRCGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-14-9-7-12(13-4)10-11(3)6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N,5-dimethyl-1-propoxyheptan-3-amine?
N,5-dimethyl-1-propoxyheptan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-propoxyheptan-3-amine is sourced from PubChem (CID 105138301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).