N,6-dimethyl-1-propoxyheptan-3-amine

C12H27NO — CID 105126755

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

About N,6-dimethyl-1-propoxyheptan-3-amine

N,6-dimethyl-1-propoxyheptan-3-amine (PubChem CID 105126755) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,6-dimethyl-1-propoxyheptan-3-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-propoxyheptan-3-amine
PubChem CID105126755
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,6-dimethyl-1-propoxyheptan-3-amine
SMILESCCCOCCC(CCC(C)C)NC
InChIInChI=1S/C12H27NO/c1-5-9-14-10-8-12(13-4)7-6-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyQHSFGGIBRQFCRT-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

1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine
CID 103149299
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
N-methyl-1-phenyl-4-propoxybutan-2-amine
CID 105084507
5-methoxy-N-methyl-1-propoxyhexan-2-amine
CID 105165354
4-ethyl-N-methyl-1-propoxyhexan-3-amine
CID 105168465
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-propoxyheptan-3-amine?
The IUPAC name of N,6-dimethyl-1-propoxyheptan-3-amine (CID 105126755) is N,6-dimethyl-1-propoxyheptan-3-amine.
What is the SMILES notation for N,6-dimethyl-1-propoxyheptan-3-amine?
The canonical SMILES for N,6-dimethyl-1-propoxyheptan-3-amine is CCCOCCC(CCC(C)C)NC.
What is the InChIKey of N,6-dimethyl-1-propoxyheptan-3-amine?
The InChIKey is QHSFGGIBRQFCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-9-14-10-8-12(13-4)7-6-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N,6-dimethyl-1-propoxyheptan-3-amine?
N,6-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,6-dimethyl-1-propoxyheptan-3-amine is sourced from PubChem (CID 105126755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).