5,6-diaminohexanamide

C6H15N3O — CID 163484084

IUPAC5,6-diaminohexanamide
SMILESNCC(N)CCCC(N)=O
InChIInChI=1S/C6H15N3O/c7-4-5(8)2-1-3-6(9)10/h5H,1-4,7-8H2,(H2,9,10)
InChIKeyCHBDBYHDWWMWKU-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.07
Rot. Bonds5

About 5,6-diaminohexanamide

5,6-diaminohexanamide (PubChem CID 163484084) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 5,6-diaminohexanamide.

Molecular Properties

Compound Name5,6-diaminohexanamide
PubChem CID163484084
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name5,6-diaminohexanamide
SMILESNCC(N)CCCC(N)=O
InChIInChI=1S/C6H15N3O/c7-4-5(8)2-1-3-6(9)10/h5H,1-4,7-8H2,(H2,9,10)
InChIKeyCHBDBYHDWWMWKU-UHFFFAOYSA-N
XLogP-1.07
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
3,4-diaminobutanamide
CID 66426891
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
1,1-diaminourea;dodecane;undecane-1,2-diamine
CID 174889744
copper;tridecanediamide
CID 159780260
16-aminohexadecanamide
CID 86033165
2-(3-aminopropyl)hexanediamide
CID 174684338
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452
(3S)-3,7-diaminoheptanamide
CID 165481888

Frequently Asked Questions

What is the IUPAC name of 5,6-diaminohexanamide?
The IUPAC name of 5,6-diaminohexanamide (CID 163484084) is 5,6-diaminohexanamide.
What is the SMILES notation for 5,6-diaminohexanamide?
The canonical SMILES for 5,6-diaminohexanamide is NCC(N)CCCC(N)=O.
What is the InChIKey of 5,6-diaminohexanamide?
The InChIKey is CHBDBYHDWWMWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c7-4-5(8)2-1-3-6(9)10/h5H,1-4,7-8H2,(H2,9,10).
What are the key properties of 5,6-diaminohexanamide?
5,6-diaminohexanamide has a molecular weight of 145.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diaminohexanamide is sourced from PubChem (CID 163484084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).