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

C14H31NO — CID 105140017

IUPACN-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
SMILESCCCOCCC(CCC(C)(C)C)NCC
InChIInChI=1S/C14H31NO/c1-6-11-16-12-9-13(15-7-2)8-10-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyVIXLOQXVKYWKBK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds9

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

N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine (PubChem CID 105140017) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
PubChem CID105140017
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
SMILESCCCOCCC(CCC(C)(C)C)NCC
InChIInChI=1S/C14H31NO/c1-6-11-16-12-9-13(15-7-2)8-10-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyVIXLOQXVKYWKBK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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-ethyl-1-propoxyhexan-3-amine
CID 105080266
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
N-ethyl-1-propoxyoct-6-yn-3-amine
CID 105181429
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine
CID 102928078
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
CID 82957714
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine?
The IUPAC name of N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine (CID 105140017) is N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine.
What is the SMILES notation for N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine?
The canonical SMILES for N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine is CCCOCCC(CCC(C)(C)C)NCC.
What is the InChIKey of N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine?
The InChIKey is VIXLOQXVKYWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-11-16-12-9-13(15-7-2)8-10-14(3,4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine?
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine is sourced from PubChem (CID 105140017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).