1-cyclooctyl-1,4-diazocane-2,2-diamine

C14H30N4 — CID 70577124

IUPAC1-cyclooctyl-1,4-diazocane-2,2-diamine
SMILESNC1(N)CNCCCCN1C1CCCCCCC1
InChIInChI=1S/C14H30N4/c15-14(16)12-17-10-6-7-11-18(14)13-8-4-2-1-3-5-9-13/h13,17H,1-12,15-16H2
InChIKeyAZCMNKAZRFFWED-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.36
Rot. Bonds1

About 1-cyclooctyl-1,4-diazocane-2,2-diamine

1-cyclooctyl-1,4-diazocane-2,2-diamine (PubChem CID 70577124) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclooctyl-1,4-diazocane-2,2-diamine.

Molecular Properties

Compound Name1-cyclooctyl-1,4-diazocane-2,2-diamine
PubChem CID70577124
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-cyclooctyl-1,4-diazocane-2,2-diamine
SMILESNC1(N)CNCCCCN1C1CCCCCCC1
InChIInChI=1S/C14H30N4/c15-14(16)12-17-10-6-7-11-18(14)13-8-4-2-1-3-5-9-13/h13,17H,1-12,15-16H2
InChIKeyAZCMNKAZRFFWED-UHFFFAOYSA-N
XLogP1.36
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclooctyl-1,4-diazocane-2,2-diamine?
The IUPAC name of 1-cyclooctyl-1,4-diazocane-2,2-diamine (CID 70577124) is 1-cyclooctyl-1,4-diazocane-2,2-diamine.
What is the SMILES notation for 1-cyclooctyl-1,4-diazocane-2,2-diamine?
The canonical SMILES for 1-cyclooctyl-1,4-diazocane-2,2-diamine is NC1(N)CNCCCCN1C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-1,4-diazocane-2,2-diamine?
The InChIKey is AZCMNKAZRFFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c15-14(16)12-17-10-6-7-11-18(14)13-8-4-2-1-3-5-9-13/h13,17H,1-12,15-16H2.
What are the key properties of 1-cyclooctyl-1,4-diazocane-2,2-diamine?
1-cyclooctyl-1,4-diazocane-2,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-1,4-diazocane-2,2-diamine is sourced from PubChem (CID 70577124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).