N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine

C11H22N4 — CID 66132309

IUPACN'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
SMILESCC(C)n1cncc1CNCCCCN
InChIInChI=1S/C11H22N4/c1-10(2)15-9-14-8-11(15)7-13-6-4-3-5-12/h8-10,13H,3-7,12H2,1-2H3
InChIKeyQLUGAFQPKNAFIU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds7

About N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine

N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine (PubChem CID 66132309) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
PubChem CID66132309
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
SMILESCC(C)n1cncc1CNCCCCN
InChIInChI=1S/C11H22N4/c1-10(2)15-9-14-8-11(15)7-13-6-4-3-5-12/h8-10,13H,3-7,12H2,1-2H3
InChIKeyQLUGAFQPKNAFIU-UHFFFAOYSA-N
XLogP1.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
CID 113327104
3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66163380
N-ethyl-N-[3-[(3-propan-2-ylimidazol-4-yl)methylamino]propyl]methanesulfonamide
CID 66164749
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
CID 106938076
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
CID 66131875
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531

Frequently Asked Questions

What is the IUPAC name of N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine (CID 66132309) is N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine is CC(C)n1cncc1CNCCCCN.
What is the InChIKey of N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine?
The InChIKey is QLUGAFQPKNAFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(2)15-9-14-8-11(15)7-13-6-4-3-5-12/h8-10,13H,3-7,12H2,1-2H3.
What are the key properties of N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine?
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 66132309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).