N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine

C13H24N4 — CID 106571499

IUPACN'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
SMILESCC(C)Cn1ccnc1NCCN(C)C1CC1
InChIInChI=1S/C13H24N4/c1-11(2)10-17-9-7-15-13(17)14-6-8-16(3)12-4-5-12/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,14,15)
InChIKeyQYDWOSPJVLHXGA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds7

About N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine (PubChem CID 106571499) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
PubChem CID106571499
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
SMILESCC(C)Cn1ccnc1NCCN(C)C1CC1
InChIInChI=1S/C13H24N4/c1-11(2)10-17-9-7-15-13(17)14-6-8-16(3)12-4-5-12/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,14,15)
InChIKeyQYDWOSPJVLHXGA-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine (CID 106571499) is N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine is CC(C)Cn1ccnc1NCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine?
The InChIKey is QYDWOSPJVLHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)10-17-9-7-15-13(17)14-6-8-16(3)12-4-5-12/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,14,15).
What are the key properties of N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 106571499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).