1-methoxy-N-methyl-5-methylideneheptan-3-amine

C10H21NO — CID 66038979

IUPAC1-methoxy-N-methyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CCOC)NC
InChIInChI=1S/C10H21NO/c1-5-9(2)8-10(11-3)6-7-12-4/h10-11H,2,5-8H2,1,3-4H3
InChIKeyHSRYFSMQZHIMMA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About 1-methoxy-N-methyl-5-methylideneheptan-3-amine

1-methoxy-N-methyl-5-methylideneheptan-3-amine (PubChem CID 66038979) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methoxy-N-methyl-5-methylideneheptan-3-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-5-methylideneheptan-3-amine
PubChem CID66038979
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methoxy-N-methyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CCOC)NC
InChIInChI=1S/C10H21NO/c1-5-9(2)8-10(11-3)6-7-12-4/h10-11H,2,5-8H2,1,3-4H3
InChIKeyHSRYFSMQZHIMMA-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-5-methylideneheptan-3-amine?
The IUPAC name of 1-methoxy-N-methyl-5-methylideneheptan-3-amine (CID 66038979) is 1-methoxy-N-methyl-5-methylideneheptan-3-amine.
What is the SMILES notation for 1-methoxy-N-methyl-5-methylideneheptan-3-amine?
The canonical SMILES for 1-methoxy-N-methyl-5-methylideneheptan-3-amine is C=C(CC)CC(CCOC)NC.
What is the InChIKey of 1-methoxy-N-methyl-5-methylideneheptan-3-amine?
The InChIKey is HSRYFSMQZHIMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(2)8-10(11-3)6-7-12-4/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of 1-methoxy-N-methyl-5-methylideneheptan-3-amine?
1-methoxy-N-methyl-5-methylideneheptan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-5-methylideneheptan-3-amine is sourced from PubChem (CID 66038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).