N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine

C15H30N4 — CID 106555556

IUPACN-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1CCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N4/c1-6-7-8-16-15-17-9-10-18(15)11-12-19(13(2)3)14(4)5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,16,17)
InChIKeyFDFIGDJTVOXOBO-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.21
Rot. Bonds9

About N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine

N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine (PubChem CID 106555556) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
PubChem CID106555556
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1CCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N4/c1-6-7-8-16-15-17-9-10-18(15)11-12-19(13(2)3)14(4)5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,16,17)
InChIKeyFDFIGDJTVOXOBO-UHFFFAOYSA-N
XLogP3.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580940
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
N',N'-diethyl-N-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558821

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine?
The IUPAC name of N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine (CID 106555556) is N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine?
The canonical SMILES for N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine is CCCCNc1nccn1CCN(C(C)C)C(C)C.
What is the InChIKey of N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine?
The InChIKey is FDFIGDJTVOXOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-7-8-16-15-17-9-10-18(15)11-12-19(13(2)3)14(4)5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,16,17).
What are the key properties of N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine?
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine is sourced from PubChem (CID 106555556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).