N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide

C24H29N3 — CID 139705178

IUPACN,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide
SMILESCc1cc(/C(=N/Cc2ccncc2)N(C)C)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C24H29N3/c1-16(2)20-8-7-17(3)23-21(14-20)18(4)13-22(23)24(27(5)6)26-15-19-9-11-25-12-10-19/h7-14,16H,15H2,1-6H3/b26-24-
InChIKeyLZDFDNQINVFCNV-LCUIJRPUSA-N
MW359.52 g/mol
LogP5.44
Rot. Bonds4

About N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide

N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide (PubChem CID 139705178) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide.

Molecular Properties

Compound NameN,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide
PubChem CID139705178
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC NameN,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide
SMILESCc1cc(/C(=N/Cc2ccncc2)N(C)C)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C24H29N3/c1-16(2)20-8-7-17(3)23-21(14-20)18(4)13-22(23)24(27(5)6)26-15-19-9-11-25-12-10-19/h7-14,16H,15H2,1-6H3/b26-24-
InChIKeyLZDFDNQINVFCNV-LCUIJRPUSA-N
XLogP5.44
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-3-ylmethyl)azulene-1-carboximidamide
CID 139705187
N'-(6-methoxy-3-pyridinyl)-N,N,3,8-tetramethyl-5-propan-2-ylazulene-1-carboximidamide
CID 139705186
1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)propan-1-one
CID 12822785
[1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-methylprop-1-enyl] acetate
CID 177428151
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
3,5-dimethyl-N-[N-(3-propan-2-ylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773195
4-[[4-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 102075939
3-methyl-N-[N-(3-propan-2-ylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773147
2-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]-1-pyridin-4-ylguanidine
CID 129213956
2-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)diazenyl]phenol
CID 136798597
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187

Frequently Asked Questions

What is the IUPAC name of N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide?
The IUPAC name of N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide (CID 139705178) is N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide.
What is the SMILES notation for N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide?
The canonical SMILES for N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide is Cc1cc(/C(=N/Cc2ccncc2)N(C)C)c2c(C)ccc(C(C)C)cc1-2.
What is the InChIKey of N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide?
The InChIKey is LZDFDNQINVFCNV-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H29N3/c1-16(2)20-8-7-17(3)23-21(14-20)18(4)13-22(23)24(27(5)6)26-15-19-9-11-25-12-10-19/h7-14,16H,15H2,1-6H3/b26-24-.
What are the key properties of N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide?
N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide has a molecular weight of 359.52 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,8-tetramethyl-5-propan-2-yl-N'-(pyridin-4-ylmethyl)azulene-1-carboximidamide is sourced from PubChem (CID 139705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).