butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine

C16H28N4 — CID 145331038

IUPACbutane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)c1cnc2n1CCNC2.CCCC
InChIInChI=1S/C12H18N4.C4H10/c1-4-10(9-15(2)3)11-7-14-12-8-13-5-6-16(11)12;1-3-4-2/h4,7,9,13H,1,5-6,8H2,2-3H3;3-4H2,1-2H3/b10-9+;
InChIKeyBHEVEMKJTUMGBN-RRABGKBLSA-N
MW276.43 g/mol
LogP2.88
Rot. Bonds4

About butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine

butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine (PubChem CID 145331038) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Namebutane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine
PubChem CID145331038
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Namebutane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)c1cnc2n1CCNC2.CCCC
InChIInChI=1S/C12H18N4.C4H10/c1-4-10(9-15(2)3)11-7-14-12-8-13-5-6-16(11)12;1-3-4-2/h4,7,9,13H,1,5-6,8H2,2-3H3;3-4H2,1-2H3/b10-9+;
InChIKeyBHEVEMKJTUMGBN-RRABGKBLSA-N
XLogP2.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride
CID 154866066
N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 97406262
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)acetamide;dihydrochloride
CID 170910737
3-ethenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
CID 157048534
3-(3,5-dimethyl-1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 96610957
N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-sulfonamide
CID 130943696
3-ethyl-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 63033489
3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342092
3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588060
3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenol
CID 175833776
5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-ylmethanol;hydrochloride
CID 67239677
3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342018

Frequently Asked Questions

What is the IUPAC name of butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine?
The IUPAC name of butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine (CID 145331038) is butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine?
The canonical SMILES for butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine is C=C/C(=C\N(C)C)c1cnc2n1CCNC2.CCCC.
What is the InChIKey of butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine?
The InChIKey is BHEVEMKJTUMGBN-RRABGKBLSA-N. The full InChI is InChI=1S/C12H18N4.C4H10/c1-4-10(9-15(2)3)11-7-14-12-8-13-5-6-16(11)12;1-3-4-2/h4,7,9,13H,1,5-6,8H2,2-3H3;3-4H2,1-2H3/b10-9+;.
What are the key properties of butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine?
butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(1E)-N,N-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 145331038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).