1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine

C10H23N3 — CID 18000446

IUPAC1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine
SMILESCC(N)N(C(C)N)C1CCCCC1
InChIInChI=1S/C10H23N3/c1-8(11)13(9(2)12)10-6-4-3-5-7-10/h8-10H,3-7,11-12H2,1-2H3
InChIKeyPEUKVHLZGXPGDP-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.23
Rot. Bonds3

About 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine

1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine (PubChem CID 18000446) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine
PubChem CID18000446
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine
SMILESCC(N)N(C(C)N)C1CCCCC1
InChIInChI=1S/C10H23N3/c1-8(11)13(9(2)12)10-6-4-3-5-7-10/h8-10H,3-7,11-12H2,1-2H3
InChIKeyPEUKVHLZGXPGDP-UHFFFAOYSA-N
XLogP1.23
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine?
The IUPAC name of 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine (CID 18000446) is 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine is CC(N)N(C(C)N)C1CCCCC1.
What is the InChIKey of 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine?
The InChIKey is PEUKVHLZGXPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(11)13(9(2)12)10-6-4-3-5-7-10/h8-10H,3-7,11-12H2,1-2H3.
What are the key properties of 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine?
1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine has a molecular weight of 185.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine is sourced from PubChem (CID 18000446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).