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

C17H32N4 — CID 106565750

IUPACN-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCc1cn(C2CCCC2)c(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C17H32N4/c1-14(2)20(4)12-8-7-11-18-17-19-15(3)13-21(17)16-9-5-6-10-16/h13-14,16H,5-12H2,1-4H3,(H,18,19)
InChIKeyKRDIMAOOYLMMBG-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds8

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

N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 106565750) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID106565750
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCc1cn(C2CCCC2)c(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C17H32N4/c1-14(2)20(4)12-8-7-11-18-17-19-15(3)13-21(17)16-9-5-6-10-16/h13-14,16H,5-12H2,1-4H3,(H,18,19)
InChIKeyKRDIMAOOYLMMBG-UHFFFAOYSA-N
XLogP3.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.84
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-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565754
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 106565750) is N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is Cc1cn(C2CCCC2)c(NCCCCN(C)C(C)C)n1.
What is the InChIKey of N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is KRDIMAOOYLMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(2)20(4)12-8-7-11-18-17-19-15(3)13-21(17)16-9-5-6-10-16/h13-14,16H,5-12H2,1-4H3,(H,18,19).
What are the key properties of N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 106565750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).