N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide

C23H40N6 — CID 143574862

IUPACN-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\N=C(/C)N)c1cnn(C)c1NC.CC(CC1CC1)NC1CCCCC1
InChIInChI=1S/C12H23N.C11H17N5/c1-10(9-11-7-8-11)13-12-5-3-2-4-6-12;1-8(5-6-14-9(2)12)10-7-15-16(4)11(10)13-3/h10-13H,2-9H2,1H3;5-7,13H,1H2,2-4H3,(H2,12,14)/b;6-5-
InChIKeyBUQIDVUGYWAUNS-JXGYXAOLSA-N
MW400.62 g/mol
LogP4.46
Rot. Bonds8

About N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide

N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide (PubChem CID 143574862) has the molecular formula C23H40N6 and a molecular weight of 400.62 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
PubChem CID143574862
Molecular FormulaC23H40N6
Molecular Weight400.62 g/mol
Exact Mass400.33
IUPAC NameN-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\N=C(/C)N)c1cnn(C)c1NC.CC(CC1CC1)NC1CCCCC1
InChIInChI=1S/C12H23N.C11H17N5/c1-10(9-11-7-8-11)13-12-5-3-2-4-6-12;1-8(5-6-14-9(2)12)10-7-15-16(4)11(10)13-3/h10-13H,2-9H2,1H3;5-7,13H,1H2,2-4H3,(H2,12,14)/b;6-5-
InChIKeyBUQIDVUGYWAUNS-JXGYXAOLSA-N
XLogP4.46
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[1-(4,4-difluorocyclohexyl)-4-ethenylpyrazol-5-yl]-N'-methylcyclobutanecarboximidamide
CID 144135729
4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine;ethane;propane
CID 143843846
5-cyclohexa-1,3-dien-1-yl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]-3-propan-2-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine
CID 163769091
N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine
CID 115921218
N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide
CID 143574863
4-(2,3-dimethyl-4H-pyrimidin-4-yl)-N,1-dimethylpyrazol-5-amine
CID 143575048

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide (CID 143574862) is N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide is C=C(/C=C\N=C(/C)N)c1cnn(C)c1NC.CC(CC1CC1)NC1CCCCC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
The InChIKey is BUQIDVUGYWAUNS-JXGYXAOLSA-N. The full InChI is InChI=1S/C12H23N.C11H17N5/c1-10(9-11-7-8-11)13-12-5-3-2-4-6-12;1-8(5-6-14-9(2)12)10-7-15-16(4)11(10)13-3/h10-13H,2-9H2,1H3;5-7,13H,1H2,2-4H3,(H2,12,14)/b;6-5-.
What are the key properties of N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide?
N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide has a molecular weight of 400.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)cyclohexanamine;N'-[(1Z)-3-[1-methyl-5-(methylamino)pyrazol-4-yl]buta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 143574862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).