N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C13H24N4 — CID 63314418

IUPACN'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CNCCN(C)C1CCCC1
InChIInChI=1S/C13H24N4/c1-11-13(16-10-15-11)9-14-7-8-17(2)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyVMCPJMVZEZZKCM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 63314418) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID63314418
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CNCCN(C)C1CCCC1
InChIInChI=1S/C13H24N4/c1-11-13(16-10-15-11)9-14-7-8-17(2)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyVMCPJMVZEZZKCM-UHFFFAOYSA-N
XLogP1.68
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 63314418) is N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is Cc1[nH]cnc1CNCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is VMCPJMVZEZZKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-13(16-10-15-11)9-14-7-8-17(2)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63314418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).