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

C9H14N2 — CID 142392848

IUPACN-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILES[H]/N=C/N(C)C(=C)/C=C(/C)C=C
InChIInChI=1S/C9H14N2/c1-5-8(2)6-9(3)11(4)7-10/h5-7,10H,1,3H2,2,4H3/b8-6-,10-7+
InChIKeyQKMSZHADYMIZSF-GOOBONSCSA-N
MW150.22 g/mol
LogP2.17
Rot. Bonds4

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

N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide (PubChem CID 142392848) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
PubChem CID142392848
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILES[H]/N=C/N(C)C(=C)/C=C(/C)C=C
InChIInChI=1S/C9H14N2/c1-5-8(2)6-9(3)11(4)7-10/h5-7,10H,1,3H2,2,4H3/b8-6-,10-7+
InChIKeyQKMSZHADYMIZSF-GOOBONSCSA-N
XLogP2.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.17
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
ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 142392847
Ethane;(2-methylidene-1-pyridinyl)methanimine
CID 144750419
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide
CID 155220394
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
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-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 143160360
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 N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The IUPAC name of N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide (CID 142392848) is N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide.
What is the SMILES notation for N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The canonical SMILES for N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide is [H]/N=C/N(C)C(=C)/C=C(/C)C=C.
What is the InChIKey of N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The InChIKey is QKMSZHADYMIZSF-GOOBONSCSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(2)6-9(3)11(4)7-10/h5-7,10H,1,3H2,2,4H3/b8-6-,10-7+.
What are the key properties of N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide?
N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide is sourced from PubChem (CID 142392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).