ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide

C15H32N2 — CID 142392847

IUPACethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILESCC.CC.CC.[H]/N=C/N(C)C(=C)/C=C(/C)C=C
InChIInChI=1S/C9H14N2.3C2H6/c1-5-8(2)6-9(3)11(4)7-10;3*1-2/h5-7,10H,1,3H2,2,4H3;3*1-2H3/b8-6-,10-7+;;;
InChIKeyLYJYRDTUOWUISN-SXHISYAOSA-N
MW240.43 g/mol
LogP5.25
Rot. Bonds4

About ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide

ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide (PubChem CID 142392847) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
PubChem CID142392847
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nameethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILESCC.CC.CC.[H]/N=C/N(C)C(=C)/C=C(/C)C=C
InChIInChI=1S/C9H14N2.3C2H6/c1-5-8(2)6-9(3)11(4)7-10;3*1-2/h5-7,10H,1,3H2,2,4H3;3*1-2H3/b8-6-,10-7+;;;
InChIKeyLYJYRDTUOWUISN-SXHISYAOSA-N
XLogP5.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-octa-1,3,6-trien-2-ylmethanimidamide
CID 123701301
Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide
CID 155220394
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
N,N-diethyl-3-(1-methanimidoyl-2-methylidene-4-pyridinyl)prop-2-yn-1-amine
CID 169842862
ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578306
(4-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392709
N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 142392848
N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578307

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The IUPAC name of ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide (CID 142392847) is ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide.
What is the SMILES notation for ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The canonical SMILES for ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide is CC.CC.CC.[H]/N=C/N(C)C(=C)/C=C(/C)C=C.
What is the InChIKey of ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The InChIKey is LYJYRDTUOWUISN-SXHISYAOSA-N. The full InChI is InChI=1S/C9H14N2.3C2H6/c1-5-8(2)6-9(3)11(4)7-10;3*1-2/h5-7,10H,1,3H2,2,4H3;3*1-2H3/b8-6-,10-7+;;;.
What are the key properties of ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide has a molecular weight of 240.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide is sourced from PubChem (CID 142392847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).