methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide

C10H19N3 — CID 145087338

IUPACmethanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide
SMILESC=C(C)/C=C\C(=C)C/N=C/N.CN
InChIInChI=1S/C9H14N2.CH5N/c1-8(2)4-5-9(3)6-11-7-10;1-2/h4-5,7H,1,3,6H2,2H3,(H2,10,11);2H2,1H3/b5-4-;
InChIKeyDPMQUAPJEQLLLG-MKWAYWHRSA-N
MW181.28 g/mol
LogP1.24
Rot. Bonds4

About methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide

methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide (PubChem CID 145087338) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide.

Molecular Properties

Compound Namemethanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide
PubChem CID145087338
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Namemethanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide
SMILESC=C(C)/C=C\C(=C)C/N=C/N.CN
InChIInChI=1S/C9H14N2.CH5N/c1-8(2)4-5-9(3)6-11-7-10;1-2/h4-5,7H,1,3,6H2,2H3,(H2,10,11);2H2,1H3/b5-4-;
InChIKeyDPMQUAPJEQLLLG-MKWAYWHRSA-N
XLogP1.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine
CID 88880587
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine
CID 118403159
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide
CID 121420160
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693
N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide
CID 126734111
(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine
CID 130180649
N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimidamide
CID 132252406
N'-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidamide
CID 137546928
N'-[(2E,4Z)-4-ethyl-8-methylnona-2,4,7-trienyl]-N-methylideneethanimidamide
CID 138483254

Frequently Asked Questions

What is the IUPAC name of methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide?
The IUPAC name of methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide (CID 145087338) is methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide.
What is the SMILES notation for methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide?
The canonical SMILES for methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide is C=C(C)/C=C\C(=C)C/N=C/N.CN.
What is the InChIKey of methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide?
The InChIKey is DPMQUAPJEQLLLG-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H14N2.CH5N/c1-8(2)4-5-9(3)6-11-7-10;1-2/h4-5,7H,1,3,6H2,2H3,(H2,10,11);2H2,1H3/b5-4-;.
What are the key properties of methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide?
methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N'-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanimidamide is sourced from PubChem (CID 145087338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).