N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide

C13H25N3 — CID 123432597

IUPACN'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide
SMILESC/C=C(/C=C\C(CC)C(C)C)NC=NCN
InChIInChI=1S/C13H25N3/c1-5-12(11(3)4)7-8-13(6-2)16-10-15-9-14/h6-8,10-12H,5,9,14H2,1-4H3,(H,15,16)/b8-7-,13-6-
InChIKeyKXXOGTAARBXBFX-WLEWVHITSA-N
MW223.36 g/mol
LogP2.66
Rot. Bonds7

About N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide

N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide (PubChem CID 123432597) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide
PubChem CID123432597
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide
SMILESC/C=C(/C=C\C(CC)C(C)C)NC=NCN
InChIInChI=1S/C13H25N3/c1-5-12(11(3)4)7-8-13(6-2)16-10-15-9-14/h6-8,10-12H,5,9,14H2,1-4H3,(H,15,16)/b8-7-,13-6-
InChIKeyKXXOGTAARBXBFX-WLEWVHITSA-N
XLogP2.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.66
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-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
CID 166838186
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
4-methyl-4,6-di(propan-2-yl)-1H-pyrimidine
CID 130311140
N'-methyl-N-(4-propylcyclohexa-1,5-dien-1-yl)methanimidamide
CID 132185582
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
N'-methyl-N-[(Z)-5-methylhex-2-en-2-yl]methanimidamide
CID 142928332
Molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole
CID 145130298
N'-[(Z)-4-methylhex-2-enyl]-N-prop-1-en-2-ylmethanimidamide
CID 155371478
N-[(Z)-4-(dimethylamino)-4-(2,6-dimethylcyclohexa-2,4-dien-1-yl)but-2-en-2-yl]-N'-methylmethanimidamide
CID 163243760
(4E,5E)-4-(4-methylpent-1-en-3-ylidene)-5-prop-2-enylidene-1H-imidazole
CID 170415153
N'-[(3Z,8Z)-6,7,10-trimethylundeca-3,8-dien-3-yl]methanimidamide
CID 173857141

Frequently Asked Questions

What is the IUPAC name of N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide?
The IUPAC name of N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide (CID 123432597) is N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide?
The canonical SMILES for N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide is C/C=C(/C=C\C(CC)C(C)C)NC=NCN.
What is the InChIKey of N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide?
The InChIKey is KXXOGTAARBXBFX-WLEWVHITSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-12(11(3)4)7-8-13(6-2)16-10-15-9-14/h6-8,10-12H,5,9,14H2,1-4H3,(H,15,16)/b8-7-,13-6-.
What are the key properties of N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide?
N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide has a molecular weight of 223.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide is sourced from PubChem (CID 123432597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).