2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine

C10H22N2O — CID 106115011

IUPAC2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine
SMILESC=CCCCN(C)CC(CN)OC
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-12(2)9-10(8-11)13-3/h4,10H,1,5-9,11H2,2-3H3
InChIKeyUZTUZRBXUDRRAF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.86
Rot. Bonds8

About 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine

2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine (PubChem CID 106115011) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine
PubChem CID106115011
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine
SMILESC=CCCCN(C)CC(CN)OC
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-12(2)9-10(8-11)13-3/h4,10H,1,5-9,11H2,2-3H3
InChIKeyUZTUZRBXUDRRAF-UHFFFAOYSA-N
XLogP0.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
CID 103152493
2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 159359399
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
7-methoxynon-1-ene
CID 91435315
7,8-dimethoxyoct-1-ene
CID 3022579
(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine
CID 166996482
N'-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 21122644
N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine
CID 123179565
2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 106114460

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine (CID 106115011) is 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine is C=CCCCN(C)CC(CN)OC.
What is the InChIKey of 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine?
The InChIKey is UZTUZRBXUDRRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-6-7-12(2)9-10(8-11)13-3/h4,10H,1,5-9,11H2,2-3H3.
What are the key properties of 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine?
2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine is sourced from PubChem (CID 106115011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).