(6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine

C10H24N4 — CID 59071552

IUPAC(6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine
SMILESCCN[C@H]1CNCCNC[C@@H]1NCC
InChIInChI=1S/C10H24N4/c1-3-13-9-7-11-5-6-12-8-10(9)14-4-2/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyZVZSVSQOULCERP-UWVGGRQHSA-N
MW200.33 g/mol
LogP-0.86
Rot. Bonds4

About (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine

(6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine (PubChem CID 59071552) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine.

Molecular Properties

Compound Name(6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine
PubChem CID59071552
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name(6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine
SMILESCCN[C@H]1CNCCNC[C@@H]1NCC
InChIInChI=1S/C10H24N4/c1-3-13-9-7-11-5-6-12-8-10(9)14-4-2/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyZVZSVSQOULCERP-UWVGGRQHSA-N
XLogP-0.86
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine?
The IUPAC name of (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine (CID 59071552) is (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine.
What is the SMILES notation for (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine?
The canonical SMILES for (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine is CCN[C@H]1CNCCNC[C@@H]1NCC.
What is the InChIKey of (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine?
The InChIKey is ZVZSVSQOULCERP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H24N4/c1-3-13-9-7-11-5-6-12-8-10(9)14-4-2/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine?
(6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine has a molecular weight of 200.33 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-N,7-N-diethyl-1,4-diazocane-6,7-diamine is sourced from PubChem (CID 59071552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).