N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine

C21H26N2 — CID 131967916

IUPACN-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine
SMILESC=C(Nc1ccc(C)nc1)C1(c2ccc(CCCC)cc2)CC1
InChIInChI=1S/C21H26N2/c1-4-5-6-18-8-10-19(11-9-18)21(13-14-21)17(3)23-20-12-7-16(2)22-15-20/h7-12,15,23H,3-6,13-14H2,1-2H3
InChIKeyOWAILKYVAHWNAN-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.39
Rot. Bonds7

About N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine

N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine (PubChem CID 131967916) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine
PubChem CID131967916
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine
SMILESC=C(Nc1ccc(C)nc1)C1(c2ccc(CCCC)cc2)CC1
InChIInChI=1S/C21H26N2/c1-4-5-6-18-8-10-19(11-9-18)21(13-14-21)17(3)23-20-12-7-16(2)22-15-20/h7-12,15,23H,3-6,13-14H2,1-2H3
InChIKeyOWAILKYVAHWNAN-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
CID 174432527
1-(4-butylphenyl)-3-(5-methyl-2-pyridinyl)thiourea
CID 8017252
4-butyl-N-(2-methylprop-2-enyl)aniline
CID 62331325
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
CID 110178545
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108892033
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine?
The IUPAC name of N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine (CID 131967916) is N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine is C=C(Nc1ccc(C)nc1)C1(c2ccc(CCCC)cc2)CC1.
What is the InChIKey of N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine?
The InChIKey is OWAILKYVAHWNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-4-5-6-18-8-10-19(11-9-18)21(13-14-21)17(3)23-20-12-7-16(2)22-15-20/h7-12,15,23H,3-6,13-14H2,1-2H3.
What are the key properties of N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine?
N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine has a molecular weight of 306.45 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 131967916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).