7-methoxy-N,5-dimethylhept-1-en-4-amine

C10H21NO — CID 116660673

IUPAC7-methoxy-N,5-dimethylhept-1-en-4-amine
SMILESC=CCC(NC)C(C)CCOC
InChIInChI=1S/C10H21NO/c1-5-6-10(11-3)9(2)7-8-12-4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyNYEMUBLFTYDMRH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds7

About 7-methoxy-N,5-dimethylhept-1-en-4-amine

7-methoxy-N,5-dimethylhept-1-en-4-amine (PubChem CID 116660673) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 7-methoxy-N,5-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name7-methoxy-N,5-dimethylhept-1-en-4-amine
PubChem CID116660673
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name7-methoxy-N,5-dimethylhept-1-en-4-amine
SMILESC=CCC(NC)C(C)CCOC
InChIInChI=1S/C10H21NO/c1-5-6-10(11-3)9(2)7-8-12-4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyNYEMUBLFTYDMRH-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.82
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

1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
CID 105185179
1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
CID 138636088
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
CID 103517156
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
CID 116720146
1,1-dimethoxy-N-methylhept-6-en-2-amine
CID 79492651
5-methoxy-4-(methoxymethyl)hex-1-ene
CID 89049171

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,5-dimethylhept-1-en-4-amine?
The IUPAC name of 7-methoxy-N,5-dimethylhept-1-en-4-amine (CID 116660673) is 7-methoxy-N,5-dimethylhept-1-en-4-amine.
What is the SMILES notation for 7-methoxy-N,5-dimethylhept-1-en-4-amine?
The canonical SMILES for 7-methoxy-N,5-dimethylhept-1-en-4-amine is C=CCC(NC)C(C)CCOC.
What is the InChIKey of 7-methoxy-N,5-dimethylhept-1-en-4-amine?
The InChIKey is NYEMUBLFTYDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-10(11-3)9(2)7-8-12-4/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 7-methoxy-N,5-dimethylhept-1-en-4-amine?
7-methoxy-N,5-dimethylhept-1-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,5-dimethylhept-1-en-4-amine is sourced from PubChem (CID 116660673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).