N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine

C12H24N4 — CID 114401778

IUPACN-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
SMILESC1CCCC(NCCNC2=NCCN2)CC1
InChIInChI=1S/C12H24N4/c1-2-4-6-11(5-3-1)13-7-8-14-12-15-9-10-16-12/h11,13H,1-10H2,(H2,14,15,16)
InChIKeyFDSVARPBCGJPCP-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.85
Rot. Bonds4

About N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine

N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine (PubChem CID 114401778) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
PubChem CID114401778
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
SMILESC1CCCC(NCCNC2=NCCN2)CC1
InChIInChI=1S/C12H24N4/c1-2-4-6-11(5-3-1)13-7-8-14-12-15-9-10-16-12/h11,13H,1-10H2,(H2,14,15,16)
InChIKeyFDSVARPBCGJPCP-UHFFFAOYSA-N
XLogP0.85
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine (CID 114401778) is N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine is C1CCCC(NCCNC2=NCCN2)CC1.
What is the InChIKey of N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
The InChIKey is FDSVARPBCGJPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-2-4-6-11(5-3-1)13-7-8-14-12-15-9-10-16-12/h11,13H,1-10H2,(H2,14,15,16).
What are the key properties of N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114401778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).