5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine

C14H29NO — CID 116725935

IUPAC5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
SMILESC=CCC(NCCC)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-10-12(15-11-8-2)13(16-9-3)14(4,5)6/h7,12-13,15H,1,8-11H2,2-6H3
InChIKeyCMDQLQVWKITOBN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds8

About 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine

5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine (PubChem CID 116725935) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
PubChem CID116725935
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
SMILESC=CCC(NCCC)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-10-12(15-11-8-2)13(16-9-3)14(4,5)6/h7,12-13,15H,1,8-11H2,2-6H3
InChIKeyCMDQLQVWKITOBN-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
CID 116723819
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
CID 116725952
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
N-propylhepta-1,6-dien-4-amine
CID 88756960
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
CID 116726030
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine?
The IUPAC name of 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine (CID 116725935) is 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine is C=CCC(NCCC)C(OCC)C(C)(C)C.
What is the InChIKey of 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine?
The InChIKey is CMDQLQVWKITOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-10-12(15-11-8-2)13(16-9-3)14(4,5)6/h7,12-13,15H,1,8-11H2,2-6H3.
What are the key properties of 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine?
5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 116725935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).