[(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine

C8H20N4 — CID 59071533

IUPAC[(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine
SMILESNC[C@H]1CNCCNC[C@@H]1CN
InChIInChI=1S/C8H20N4/c9-3-7-5-11-1-2-12-6-8(7)4-10/h7-8,11-12H,1-6,9-10H2/t7-,8-/m0/s1
InChIKeyKFDSAXVFUOUJOW-YUMQZZPRSA-N
MW172.28 g/mol
LogP-1.67
Rot. Bonds2

About [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine

[(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine (PubChem CID 59071533) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine.

Molecular Properties

Compound Name[(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine
PubChem CID59071533
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name[(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine
SMILESNC[C@H]1CNCCNC[C@@H]1CN
InChIInChI=1S/C8H20N4/c9-3-7-5-11-1-2-12-6-8(7)4-10/h7-8,11-12H,1-6,9-10H2/t7-,8-/m0/s1
InChIKeyKFDSAXVFUOUJOW-YUMQZZPRSA-N
XLogP-1.67
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine?
The IUPAC name of [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine (CID 59071533) is [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine.
What is the SMILES notation for [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine?
The canonical SMILES for [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine is NC[C@H]1CNCCNC[C@@H]1CN.
What is the InChIKey of [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine?
The InChIKey is KFDSAXVFUOUJOW-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H20N4/c9-3-7-5-11-1-2-12-6-8(7)4-10/h7-8,11-12H,1-6,9-10H2/t7-,8-/m0/s1.
What are the key properties of [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine?
[(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine has a molecular weight of 172.28 g/mol, XLogP of -1.67, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S)-7-(aminomethyl)-1,4-diazocan-6-yl]methanamine is sourced from PubChem (CID 59071533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).