(6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine

C7H18N4 — CID 59071535

IUPAC(6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine
SMILESNC[C@H]1CNCCNC[C@@H]1N
InChIInChI=1S/C7H18N4/c8-3-6-4-10-1-2-11-5-7(6)9/h6-7,10-11H,1-5,8-9H2/t6-,7-/m0/s1
InChIKeySHHDGVWIGAZXCY-BQBZGAKWSA-N
MW158.25 g/mol
LogP-1.92
Rot. Bonds1

About (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine

(6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine (PubChem CID 59071535) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine.

Molecular Properties

Compound Name(6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine
PubChem CID59071535
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name(6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine
SMILESNC[C@H]1CNCCNC[C@@H]1N
InChIInChI=1S/C7H18N4/c8-3-6-4-10-1-2-11-5-7(6)9/h6-7,10-11H,1-5,8-9H2/t6-,7-/m0/s1
InChIKeySHHDGVWIGAZXCY-BQBZGAKWSA-N
XLogP-1.92
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine?
The IUPAC name of (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine (CID 59071535) is (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine.
What is the SMILES notation for (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine?
The canonical SMILES for (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine is NC[C@H]1CNCCNC[C@@H]1N.
What is the InChIKey of (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine?
The InChIKey is SHHDGVWIGAZXCY-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H18N4/c8-3-6-4-10-1-2-11-5-7(6)9/h6-7,10-11H,1-5,8-9H2/t6-,7-/m0/s1.
What are the key properties of (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine?
(6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine has a molecular weight of 158.25 g/mol, XLogP of -1.92, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-7-(aminomethyl)-1,4-diazocan-6-amine is sourced from PubChem (CID 59071535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).