N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C14H26N4 — CID 106565754

IUPACN-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1nccn1C1CC1
InChIInChI=1S/C14H26N4/c1-12(2)17(3)10-5-4-8-15-14-16-9-11-18(14)13-6-7-13/h9,11-13H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyLDONPDBBJCVZHV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.75
Rot. Bonds8

About N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 106565754) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID106565754
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1nccn1C1CC1
InChIInChI=1S/C14H26N4/c1-12(2)17(3)10-5-4-8-15-14-16-9-11-18(14)13-6-7-13/h9,11-13H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyLDONPDBBJCVZHV-UHFFFAOYSA-N
XLogP2.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.75
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-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580270
1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581393
1-cyclopropyl-N-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580964
N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine
CID 104731249
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]imidazol-2-amine
CID 106579442

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 106565754) is N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNc1nccn1C1CC1.
What is the InChIKey of N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is LDONPDBBJCVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)17(3)10-5-4-8-15-14-16-9-11-18(14)13-6-7-13/h9,11-13H,4-8,10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 106565754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).