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

C12H25NO2 — CID 79493073

IUPAC1,1-dimethoxy-N-propylhept-6-en-2-amine
SMILESC=CCCCC(NCCC)C(OC)OC
InChIInChI=1S/C12H25NO2/c1-5-7-8-9-11(13-10-6-2)12(14-3)15-4/h5,11-13H,1,6-10H2,2-4H3
InChIKeyLVNPSCZCFSZLJJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.33
Rot. Bonds10

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

1,1-dimethoxy-N-propylhept-6-en-2-amine (PubChem CID 79493073) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1,1-dimethoxy-N-propylhept-6-en-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-propylhept-6-en-2-amine
PubChem CID79493073
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1,1-dimethoxy-N-propylhept-6-en-2-amine
SMILESC=CCCCC(NCCC)C(OC)OC
InChIInChI=1S/C12H25NO2/c1-5-7-8-9-11(13-10-6-2)12(14-3)15-4/h5,11-13H,1,6-10H2,2-4H3
InChIKeyLVNPSCZCFSZLJJ-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.33
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-methylhept-6-en-2-amine
CID 79492651
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140
N,4-dipropyldodec-11-en-5-amine
CID 107011617
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
2,3-dimethyl-N-propylundec-10-en-4-amine
CID 107012008
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
5-ethylsulfonyl-1,1-dimethoxy-N-propylpentan-2-amine
CID 79493276
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
2-phenyl-N-propyloct-7-en-3-amine
CID 114029106
N,6-dipropylnon-1-en-5-amine
CID 104987362
1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
CID 102928668

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-propylhept-6-en-2-amine?
The IUPAC name of 1,1-dimethoxy-N-propylhept-6-en-2-amine (CID 79493073) is 1,1-dimethoxy-N-propylhept-6-en-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-propylhept-6-en-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-propylhept-6-en-2-amine is C=CCCCC(NCCC)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N-propylhept-6-en-2-amine?
The InChIKey is LVNPSCZCFSZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-8-9-11(13-10-6-2)12(14-3)15-4/h5,11-13H,1,6-10H2,2-4H3.
What are the key properties of 1,1-dimethoxy-N-propylhept-6-en-2-amine?
1,1-dimethoxy-N-propylhept-6-en-2-amine has a molecular weight of 215.34 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-propylhept-6-en-2-amine is sourced from PubChem (CID 79493073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).