1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine

C14H28N2O — CID 139697210

IUPAC1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine
SMILESC=C(C)C(COCC(C(=C)C)N(C)C)N(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)13(15(5)6)9-17-10-14(12(3)4)16(7)8/h13-14H,1,3,9-10H2,2,4-8H3
InChIKeyVWPNLUBKIZXWFN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds8

About 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine

1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine (PubChem CID 139697210) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine
PubChem CID139697210
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine
SMILESC=C(C)C(COCC(C(=C)C)N(C)C)N(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)13(15(5)6)9-17-10-14(12(3)4)16(7)8/h13-14H,1,3,9-10H2,2,4-8H3
InChIKeyVWPNLUBKIZXWFN-UHFFFAOYSA-N
XLogP2.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,2,5-tetramethylhex-1-en-3-amine
CID 135213995
N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
CID 173089896
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
CID 175067527
2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride
CID 173089642
4-(dimethylamino)-2,3-dimethyl-5-(2-methylprop-2-enoyloxy)pent-2-enoic acid
CID 175270583
3-(chloromethyl)-4-ethoxy-2-methylbut-1-ene
CID 55302256
2-(dimethylamino)-4-methylpent-4-enamide
CID 13149597
3-butoxy-2-(dimethylamino)propanoic acid
CID 171646821
3-(dimethylamino)-4-[2-(dimethylamino)-4-hydroxybutoxy]butan-1-ol
CID 88653652
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
CID 71583350
1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol
CID 87094768
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine (CID 139697210) is 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine is C=C(C)C(COCC(C(=C)C)N(C)C)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine?
The InChIKey is VWPNLUBKIZXWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)13(15(5)6)9-17-10-14(12(3)4)16(7)8/h13-14H,1,3,9-10H2,2,4-8H3.
What are the key properties of 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine?
1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine is sourced from PubChem (CID 139697210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).