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

C15H31NO — CID 114476002

IUPAC3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
SMILESC=C(C)CCC(NCCC)C(OC)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-8-11-16-13(10-9-12(2)3)14(17-7)15(4,5)6/h13-14,16H,2,8-11H2,1,3-7H3
InChIKeyJVCFUUUTLAOSOW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.77
Rot. Bonds8

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

3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine (PubChem CID 114476002) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine.

Molecular Properties

Compound Name3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
PubChem CID114476002
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
SMILESC=C(C)CCC(NCCC)C(OC)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-8-11-16-13(10-9-12(2)3)14(17-7)15(4,5)6/h13-14,16H,2,8-11H2,1,3-7H3
InChIKeyJVCFUUUTLAOSOW-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.77
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-methoxy-7-methyl-N-propyloct-7-en-4-amine
CID 114475941
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
CID 105273739
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
N-ethyl-2-methoxy-6-methylhept-6-en-3-amine
CID 114475383
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
CID 116758190
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine?
The IUPAC name of 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine (CID 114476002) is 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine.
What is the SMILES notation for 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine?
The canonical SMILES for 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine is C=C(C)CCC(NCCC)C(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine?
The InChIKey is JVCFUUUTLAOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-11-16-13(10-9-12(2)3)14(17-7)15(4,5)6/h13-14,16H,2,8-11H2,1,3-7H3.
What are the key properties of 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine?
3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine has a molecular weight of 241.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine is sourced from PubChem (CID 114476002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).