(6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine

C11H26N4 — CID 59071554

IUPAC(6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine
SMILESCCNC[C@H]1CNCCNC[C@@H]1NCC
InChIInChI=1S/C11H26N4/c1-3-12-7-10-8-13-5-6-14-9-11(10)15-4-2/h10-15H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyDGTGWOXJWITEJK-QWRGUYRKSA-N
MW214.36 g/mol
LogP-0.62
Rot. Bonds5

About (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine

(6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine (PubChem CID 59071554) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine.

Molecular Properties

Compound Name(6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine
PubChem CID59071554
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name(6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine
SMILESCCNC[C@H]1CNCCNC[C@@H]1NCC
InChIInChI=1S/C11H26N4/c1-3-12-7-10-8-13-5-6-14-9-11(10)15-4-2/h10-15H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyDGTGWOXJWITEJK-QWRGUYRKSA-N
XLogP-0.62
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine?
The IUPAC name of (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine (CID 59071554) is (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine.
What is the SMILES notation for (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine?
The canonical SMILES for (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine is CCNC[C@H]1CNCCNC[C@@H]1NCC.
What is the InChIKey of (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine?
The InChIKey is DGTGWOXJWITEJK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H26N4/c1-3-12-7-10-8-13-5-6-14-9-11(10)15-4-2/h10-15H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine?
(6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine has a molecular weight of 214.36 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-N-ethyl-7-(ethylaminomethyl)-1,4-diazocan-6-amine is sourced from PubChem (CID 59071554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).