3-methylidene-6-propoxyhexan-1-amine

C10H21NO — CID 123283529

IUPAC3-methylidene-6-propoxyhexan-1-amine
SMILESC=C(CCN)CCCOCCC
InChIInChI=1S/C10H21NO/c1-3-8-12-9-4-5-10(2)6-7-11/h2-9,11H2,1H3
InChIKeyZBZREWOCJHVTKL-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds8

About 3-methylidene-6-propoxyhexan-1-amine

3-methylidene-6-propoxyhexan-1-amine (PubChem CID 123283529) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methylidene-6-propoxyhexan-1-amine.

Molecular Properties

Compound Name3-methylidene-6-propoxyhexan-1-amine
PubChem CID123283529
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methylidene-6-propoxyhexan-1-amine
SMILESC=C(CCN)CCCOCCC
InChIInChI=1S/C10H21NO/c1-3-8-12-9-4-5-10(2)6-7-11/h2-9,11H2,1H3
InChIKeyZBZREWOCJHVTKL-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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

6-Methoxyhept-6-en-1-amine
CID 88271141
6-(2-Methylprop-2-enoxy)hexan-1-amine
CID 88851944
8-Butoxynon-8-en-1-amine
CID 90202015
5-ethyl-3,4-dihydro-2H-pyran-2-amine
CID 91531212
1-Methoxy-2,5-dimethylhex-5-en-1-amine
CID 123303711
3-(2,3,6,7-Tetrahydrooxepin-4-yl)propan-1-amine
CID 153027868
1-(5-Methylhex-5-enoxy)ethanamine
CID 155085112
13-Methoxy-11-methylidenetridecan-1-amine
CID 156532604
2,2-Dimethyl-4-methylidene-6-propoxyhexan-1-amine
CID 166831255
4-Methylidene-6-(2-methylpropoxy)hexan-1-amine
CID 166831456
2-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-5-yl]ethanamine
CID 173991585
2-Ethoxy-5-methylideneheptan-3-amine
CID 66037098

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-propoxyhexan-1-amine?
The IUPAC name of 3-methylidene-6-propoxyhexan-1-amine (CID 123283529) is 3-methylidene-6-propoxyhexan-1-amine.
What is the SMILES notation for 3-methylidene-6-propoxyhexan-1-amine?
The canonical SMILES for 3-methylidene-6-propoxyhexan-1-amine is C=C(CCN)CCCOCCC.
What is the InChIKey of 3-methylidene-6-propoxyhexan-1-amine?
The InChIKey is ZBZREWOCJHVTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-8-12-9-4-5-10(2)6-7-11/h2-9,11H2,1H3.
What are the key properties of 3-methylidene-6-propoxyhexan-1-amine?
3-methylidene-6-propoxyhexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-propoxyhexan-1-amine is sourced from PubChem (CID 123283529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).