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

C10H20N4 — CID 66132307

IUPACN'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCC(C)n1cncc1CNCCCN
InChIInChI=1S/C10H20N4/c1-9(2)14-8-13-7-10(14)6-12-5-3-4-11/h7-9,12H,3-6,11H2,1-2H3
InChIKeyNVBXZGTXPGPTRO-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.90
Rot. Bonds6

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

N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 66132307) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
PubChem CID66132307
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCC(C)n1cncc1CNCCCN
InChIInChI=1S/C10H20N4/c1-9(2)14-8-13-7-10(14)6-12-5-3-4-11/h7-9,12H,3-6,11H2,1-2H3
InChIKeyNVBXZGTXPGPTRO-UHFFFAOYSA-N
XLogP0.90
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.90
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]butane-1,4-diamine
CID 66132309
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]propane-1,3-diamine?
The IUPAC name of N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine (CID 66132307) is N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine is CC(C)n1cncc1CNCCCN.
What is the InChIKey of N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is NVBXZGTXPGPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2)14-8-13-7-10(14)6-12-5-3-4-11/h7-9,12H,3-6,11H2,1-2H3.
What are the key properties of N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine?
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.90, 6 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]propane-1,3-diamine is sourced from PubChem (CID 66132307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).