N,6-dimethyl-1-propoxyheptan-4-amine

C12H27NO — CID 106454537

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

About N,6-dimethyl-1-propoxyheptan-4-amine

N,6-dimethyl-1-propoxyheptan-4-amine (PubChem CID 106454537) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,6-dimethyl-1-propoxyheptan-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-propoxyheptan-4-amine
PubChem CID106454537
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,6-dimethyl-1-propoxyheptan-4-amine
SMILESCCCOCCCC(CC(C)C)NC
InChIInChI=1S/C12H27NO/c1-5-8-14-9-6-7-12(13-4)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyOYSYTJYHOGFEAC-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'}

Analyze N,6-dimethyl-1-propoxyheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315
6-butoxy-N-methylhexan-3-amine
CID 61483969
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
6-methyl-1-propoxyheptan-4-amine
CID 106454535
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
N-methyl-6-octoxyhexan-3-amine
CID 106800853
1-propoxy-N-propylheptan-4-amine
CID 79568616
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-propoxyheptan-4-amine?
The IUPAC name of N,6-dimethyl-1-propoxyheptan-4-amine (CID 106454537) is N,6-dimethyl-1-propoxyheptan-4-amine.
What is the SMILES notation for N,6-dimethyl-1-propoxyheptan-4-amine?
The canonical SMILES for N,6-dimethyl-1-propoxyheptan-4-amine is CCCOCCCC(CC(C)C)NC.
What is the InChIKey of N,6-dimethyl-1-propoxyheptan-4-amine?
The InChIKey is OYSYTJYHOGFEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-14-9-6-7-12(13-4)10-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N,6-dimethyl-1-propoxyheptan-4-amine?
N,6-dimethyl-1-propoxyheptan-4-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,6-dimethyl-1-propoxyheptan-4-amine is sourced from PubChem (CID 106454537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).