N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine

C11H24N2O — CID 89033616

IUPACN',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine
SMILESC=C(NCCCN(C)C)OC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10(14-11(2,3)4)12-8-7-9-13(5)6/h12H,1,7-9H2,2-6H3
InChIKeyMPWMYRVFSYSSKS-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds6

About N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine

N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine (PubChem CID 89033616) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine
PubChem CID89033616
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine
SMILESC=C(NCCCN(C)C)OC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10(14-11(2,3)4)12-8-7-9-13(5)6/h12H,1,7-9H2,2-6H3
InChIKeyMPWMYRVFSYSSKS-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea
CID 43384796
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157683
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
3-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 71722610
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine (CID 89033616) is N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine is C=C(NCCCN(C)C)OC(C)(C)C.
What is the InChIKey of N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine?
The InChIKey is MPWMYRVFSYSSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(14-11(2,3)4)12-8-7-9-13(5)6/h12H,1,7-9H2,2-6H3.
What are the key properties of N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine?
N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine is sourced from PubChem (CID 89033616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).