1,1-dimethoxy-N-methylhept-6-en-2-amine

C10H21NO2 — CID 79492651

IUPAC1,1-dimethoxy-N-methylhept-6-en-2-amine
SMILESC=CCCCC(NC)C(OC)OC
InChIInChI=1S/C10H21NO2/c1-5-6-7-8-9(11-2)10(12-3)13-4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyBCZUTUVLRGAMID-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.55
Rot. Bonds8

About 1,1-dimethoxy-N-methylhept-6-en-2-amine

1,1-dimethoxy-N-methylhept-6-en-2-amine (PubChem CID 79492651) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1,1-dimethoxy-N-methylhept-6-en-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-methylhept-6-en-2-amine
PubChem CID79492651
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1,1-dimethoxy-N-methylhept-6-en-2-amine
SMILESC=CCCCC(NC)C(OC)OC
InChIInChI=1S/C10H21NO2/c1-5-6-7-8-9(11-2)10(12-3)13-4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyBCZUTUVLRGAMID-UHFFFAOYSA-N
XLogP1.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
4-methoxy-N-methyldodec-11-en-5-amine
CID 107009691
(3-methoxy-2,2-dimethylnon-8-en-4-yl)hydrazine
CID 105273329
3-methoxy-N,2,2-trimethyloct-7-en-4-amine
CID 116724554
1-ethoxy-N-methylnon-8-en-4-amine
CID 105153065
1,1-dimethoxynon-8-en-2-amine
CID 107009425
2-methoxydec-9-en-5-ylhydrazine
CID 105311336
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
N-methyloct-7-en-2-amine
CID 64502847
3-methoxyundec-10-en-4-ylhydrazine
CID 107012653
1,1-diethoxyhept-6-en-2-ol
CID 79496437
1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
CID 107009741

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-methylhept-6-en-2-amine?
The IUPAC name of 1,1-dimethoxy-N-methylhept-6-en-2-amine (CID 79492651) is 1,1-dimethoxy-N-methylhept-6-en-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-methylhept-6-en-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-methylhept-6-en-2-amine is C=CCCCC(NC)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N-methylhept-6-en-2-amine?
The InChIKey is BCZUTUVLRGAMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-7-8-9(11-2)10(12-3)13-4/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 1,1-dimethoxy-N-methylhept-6-en-2-amine?
1,1-dimethoxy-N-methylhept-6-en-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-methylhept-6-en-2-amine is sourced from PubChem (CID 79492651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).