N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine

C16H30N4 — CID 106564255

IUPACN-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1CCN(C(C)C)C1
InChIInChI=1S/C16H30N4/c1-5-6-8-17-16-18-14(4)10-20(16)12-15-7-9-19(11-15)13(2)3/h10,13,15H,5-9,11-12H2,1-4H3,(H,17,18)
InChIKeyBYHAHMIHWGFKJB-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.13
Rot. Bonds7

About N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine

N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine (PubChem CID 106564255) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
PubChem CID106564255
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1CCN(C(C)C)C1
InChIInChI=1S/C16H30N4/c1-5-6-8-17-16-18-14(4)10-20(16)12-15-7-9-19(11-15)13(2)3/h10,13,15H,5-9,11-12H2,1-4H3,(H,17,18)
InChIKeyBYHAHMIHWGFKJB-UHFFFAOYSA-N
XLogP3.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine (CID 106564255) is N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine is CCCCNc1nc(C)cn1CC1CCN(C(C)C)C1.
What is the InChIKey of N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine?
The InChIKey is BYHAHMIHWGFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-6-8-17-16-18-14(4)10-20(16)12-15-7-9-19(11-15)13(2)3/h10,13,15H,5-9,11-12H2,1-4H3,(H,17,18).
What are the key properties of N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine?
N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106564255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).