4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine

C13H28N4 — CID 90957738

IUPAC4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N(N)N)CC2)CC1
InChIInChI=1S/C13H28N4/c14-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17(15)16/h10-13H,1-9,14-16H2
InChIKeyQPLAGXYGTIYPMI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.50
Rot. Bonds3

About 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 90957738) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID90957738
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N(N)N)CC2)CC1
InChIInChI=1S/C13H28N4/c14-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17(15)16/h10-13H,1-9,14-16H2
InChIKeyQPLAGXYGTIYPMI-UHFFFAOYSA-N
XLogP1.50
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine (CID 90957738) is 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine is NC1CCC(CC2CCC(N(N)N)CC2)CC1.
What is the InChIKey of 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is QPLAGXYGTIYPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c14-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17(15)16/h10-13H,1-9,14-16H2.
What are the key properties of 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diaminoamino)cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 90957738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).