3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine

C14H29NO — CID 116725075

IUPAC3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine
SMILESC=CCCC(NCCC)C(OC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-9-10-12(15-11-8-2)13(16-6)14(3,4)5/h7,12-13,15H,1,8-11H2,2-6H3
InChIKeyKPYVFSJZJZADND-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds8

About 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine

3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine (PubChem CID 116725075) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine
PubChem CID116725075
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine
SMILESC=CCCC(NCCC)C(OC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-9-10-12(15-11-8-2)13(16-6)14(3,4)5/h7,12-13,15H,1,8-11H2,2-6H3
InChIKeyKPYVFSJZJZADND-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

2-(1-Methoxy-2-methylbut-3-enyl)pyrrolidine
CID 123194034
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
CID 141373569
2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine
CID 167496658
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine
CID 62065960
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4-dimethylcyclohexan-1-amine
CID 64400877
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
2-ethoxy-N-ethyloct-7-en-3-amine
CID 64533801
2-ethoxy-N-ethylhept-6-en-3-amine
CID 64535214
2-ethoxy-N-propyloct-7-en-3-amine
CID 64535230
2-ethoxy-N-methylhept-6-en-3-amine
CID 64540063
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine (CID 116725075) is 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine is C=CCCC(NCCC)C(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine?
The InChIKey is KPYVFSJZJZADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-10-12(15-11-8-2)13(16-6)14(3,4)5/h7,12-13,15H,1,8-11H2,2-6H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine?
3-methoxy-2,2-dimethyl-N-propyloct-7-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 3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine is sourced from PubChem (CID 116725075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).