6-methoxy-N-methyl-3-methylidenehexan-1-amine

C9H19NO — CID 117268175

IUPAC6-methoxy-N-methyl-3-methylidenehexan-1-amine
SMILESC=C(CCCOC)CCNC
InChIInChI=1S/C9H19NO/c1-9(6-7-10-2)5-4-8-11-3/h10H,1,4-8H2,2-3H3
InChIKeyCMOABARKRKQZFN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds7

About 6-methoxy-N-methyl-3-methylidenehexan-1-amine

6-methoxy-N-methyl-3-methylidenehexan-1-amine (PubChem CID 117268175) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-methoxy-N-methyl-3-methylidenehexan-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-3-methylidenehexan-1-amine
PubChem CID117268175
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-methoxy-N-methyl-3-methylidenehexan-1-amine
SMILESC=C(CCCOC)CCNC
InChIInChI=1S/C9H19NO/c1-9(6-7-10-2)5-4-8-11-3/h10H,1,4-8H2,2-3H3
InChIKeyCMOABARKRKQZFN-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446859
6-(Ethylamino)-4-methylidenehexan-1-ol
CID 88529932
6-methoxy-N-(2-methylprop-2-enyl)hexan-1-amine
CID 88906819
N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470739
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
Ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine
CID 143542065
4-Methylidene-6-(2-methylpropoxy)hexan-1-amine
CID 166831456
6-methoxy-N-methyl-3-methylidene-N-propylhexan-1-amine
CID 169957401
6-but-3-enoxy-N-methylhexan-1-amine
CID 64292762
N-methyl-4-methylidene-1-propoxyhexan-2-amine
CID 66038271
N-ethyl-4-methylidene-1-propoxyhexan-2-amine
CID 66038272
4-methylidene-1-propoxy-N-propylhexan-2-amine
CID 66038509

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-3-methylidenehexan-1-amine?
The IUPAC name of 6-methoxy-N-methyl-3-methylidenehexan-1-amine (CID 117268175) is 6-methoxy-N-methyl-3-methylidenehexan-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-3-methylidenehexan-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-3-methylidenehexan-1-amine is C=C(CCCOC)CCNC.
What is the InChIKey of 6-methoxy-N-methyl-3-methylidenehexan-1-amine?
The InChIKey is CMOABARKRKQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(6-7-10-2)5-4-8-11-3/h10H,1,4-8H2,2-3H3.
What are the key properties of 6-methoxy-N-methyl-3-methylidenehexan-1-amine?
6-methoxy-N-methyl-3-methylidenehexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-3-methylidenehexan-1-amine is sourced from PubChem (CID 117268175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).