N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide

C16H24N2 — CID 163595437

IUPACN'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide
SMILESCC/C(C)=C(/C)c1cccc(C)c1/N=C(/N)CC
InChIInChI=1S/C16H24N2/c1-6-11(3)13(5)14-10-8-9-12(4)16(14)18-15(17)7-2/h8-10H,6-7H2,1-5H3,(H2,17,18)/b13-11-
InChIKeyGTALMQQQQMJLKF-QBFSEMIESA-N
MW244.38 g/mol
LogP4.60
Rot. Bonds4

About N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide

N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide (PubChem CID 163595437) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide.

Molecular Properties

Compound NameN'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide
PubChem CID163595437
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide
SMILESCC/C(C)=C(/C)c1cccc(C)c1/N=C(/N)CC
InChIInChI=1S/C16H24N2/c1-6-11(3)13(5)14-10-8-9-12(4)16(14)18-15(17)7-2/h8-10H,6-7H2,1-5H3,(H2,17,18)/b13-11-
InChIKeyGTALMQQQQMJLKF-QBFSEMIESA-N
XLogP4.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.60
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'}

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Related Compounds

2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenol
CID 20676610
2-[(1-amino-2-chloroethylidene)amino]-3-methylbenzoic acid
CID 169365012
N'-(2,6-difluorophenyl)propanimidamide
CID 63178619
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
ethyl 2-[[amino-(diaminomethylideneamino)methylidene]amino]-3-methylbenzoate
CID 168603861
3-methyl-2-(propan-2-ylideneamino)benzamide;hydrochloride
CID 141084680
N-(2-fluoro-6-methylphenyl)butan-2-imine
CID 142004237
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280
4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene
CID 145306340
3-methyl-2-nitrosobenzamide
CID 88560942

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide?
The IUPAC name of N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide (CID 163595437) is N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide.
What is the SMILES notation for N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide?
The canonical SMILES for N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide is CC/C(C)=C(/C)c1cccc(C)c1/N=C(/N)CC.
What is the InChIKey of N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide?
The InChIKey is GTALMQQQQMJLKF-QBFSEMIESA-N. The full InChI is InChI=1S/C16H24N2/c1-6-11(3)13(5)14-10-8-9-12(4)16(14)18-15(17)7-2/h8-10H,6-7H2,1-5H3,(H2,17,18)/b13-11-.
What are the key properties of N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide?
N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide has a molecular weight of 244.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide is sourced from PubChem (CID 163595437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).