N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide

C25H37N3 — CID 139174149

IUPACN-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide
SMILESCC(C)c1cccc(C(C)C)c1N/C(=N/C[C@H](C)c1ccccn1)C(C)(C)C
InChIInChI=1S/C25H37N3/c1-17(2)20-12-11-13-21(18(3)4)23(20)28-24(25(6,7)8)27-16-19(5)22-14-9-10-15-26-22/h9-15,17-19H,16H2,1-8H3,(H,27,28)/t19-/m0/s1
InChIKeyMCGHRTQQTJAFGZ-IBGZPJMESA-N
MW379.59 g/mol
LogP6.99
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide

N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide (PubChem CID 139174149) has the molecular formula C25H37N3 and a molecular weight of 379.59 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide
PubChem CID139174149
Molecular FormulaC25H37N3
Molecular Weight379.59 g/mol
Exact Mass379.30
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide
SMILESCC(C)c1cccc(C(C)C)c1N/C(=N/C[C@H](C)c1ccccn1)C(C)(C)C
InChIInChI=1S/C25H37N3/c1-17(2)20-12-11-13-21(18(3)4)23(20)28-24(25(6,7)8)27-16-19(5)22-14-9-10-15-26-22/h9-15,17-19H,16H2,1-8H3,(H,27,28)/t19-/m0/s1
InChIKeyMCGHRTQQTJAFGZ-IBGZPJMESA-N
XLogP6.99
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.99
H-Bond Donors ≤ 51
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

2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
CID 139459217
N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
CID 139174144
1-[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)thiourea
CID 134113662
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline
CID 139177638
2-pyridin-2-ylpropan-1-amine
CID 21481533
(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
CID 166005900
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline
CID 102236466

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide (CID 139174149) is N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide is CC(C)c1cccc(C(C)C)c1N/C(=N/C[C@H](C)c1ccccn1)C(C)(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide?
The InChIKey is MCGHRTQQTJAFGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H37N3/c1-17(2)20-12-11-13-21(18(3)4)23(20)28-24(25(6,7)8)27-16-19(5)22-14-9-10-15-26-22/h9-15,17-19H,16H2,1-8H3,(H,27,28)/t19-/m0/s1.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide?
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide has a molecular weight of 379.59 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide is sourced from PubChem (CID 139174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).