butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

C14H24N4 — CID 22493433

IUPACbutan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESCCC(C)N.Nc1ccccc1CC1=NCCN1
InChIInChI=1S/C10H13N3.C4H11N/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10;1-3-4(2)5/h1-4H,5-7,11H2,(H,12,13);4H,3,5H2,1-2H3
InChIKeyCXAHZEJQSZCMNR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.56
Rot. Bonds3

About butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 22493433) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Namebutan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID22493433
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Namebutan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESCCC(C)N.Nc1ccccc1CC1=NCCN1
InChIInChI=1S/C10H13N3.C4H11N/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10;1-3-4(2)5/h1-4H,5-7,11H2,(H,12,13);4H,3,5H2,1-2H3
InChIKeyCXAHZEJQSZCMNR-UHFFFAOYSA-N
XLogP1.56
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Antazoline
CID 2200
Antazoline Hydrochloride
CID 17275
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 10219857
2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
CID 13473021
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-1H-indole
CID 13869744
2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-indole
CID 13869749
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenylaniline
CID 44352155
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydro-1H-indole
CID 13473017
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(E)-C-ethyl-N-methoxycarbonimidoyl]aniline
CID 10244367
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(E)-methoxyiminomethyl]aniline
CID 10399043
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 10422033
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 22493433) is butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is CCC(C)N.Nc1ccccc1CC1=NCCN1.
What is the InChIKey of butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is CXAHZEJQSZCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C4H11N/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10;1-3-4(2)5/h1-4H,5-7,11H2,(H,12,13);4H,3,5H2,1-2H3.
What are the key properties of butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 22493433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).