2,6-diamino-N-prop-2-ynylhexanamide

C9H17N3O — CID 118953139

IUPAC2,6-diamino-N-prop-2-ynylhexanamide
SMILESC#CCNC(=O)C(N)CCCCN
InChIInChI=1S/C9H17N3O/c1-2-7-12-9(13)8(11)5-3-4-6-10/h1,8H,3-7,10-11H2,(H,12,13)
InChIKeyGZGLWSCZCMKWKA-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.81
Rot. Bonds6

About 2,6-diamino-N-prop-2-ynylhexanamide

2,6-diamino-N-prop-2-ynylhexanamide (PubChem CID 118953139) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,6-diamino-N-prop-2-ynylhexanamide.

Molecular Properties

Compound Name2,6-diamino-N-prop-2-ynylhexanamide
PubChem CID118953139
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2,6-diamino-N-prop-2-ynylhexanamide
SMILESC#CCNC(=O)C(N)CCCCN
InChIInChI=1S/C9H17N3O/c1-2-7-12-9(13)8(11)5-3-4-6-10/h1,8H,3-7,10-11H2,(H,12,13)
InChIKeyGZGLWSCZCMKWKA-UHFFFAOYSA-N
XLogP-0.81
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;dihydrochloride
CID 87503662
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;oxalic acid
CID 87503030
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
CID 174953341
(2S)-2,6-diamino-N-(methoxymethyl)hexanamide
CID 166782111
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-prop-2-ynylhexanamide?
The IUPAC name of 2,6-diamino-N-prop-2-ynylhexanamide (CID 118953139) is 2,6-diamino-N-prop-2-ynylhexanamide.
What is the SMILES notation for 2,6-diamino-N-prop-2-ynylhexanamide?
The canonical SMILES for 2,6-diamino-N-prop-2-ynylhexanamide is C#CCNC(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-N-prop-2-ynylhexanamide?
The InChIKey is GZGLWSCZCMKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-7-12-9(13)8(11)5-3-4-6-10/h1,8H,3-7,10-11H2,(H,12,13).
What are the key properties of 2,6-diamino-N-prop-2-ynylhexanamide?
2,6-diamino-N-prop-2-ynylhexanamide has a molecular weight of 183.25 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-prop-2-ynylhexanamide is sourced from PubChem (CID 118953139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).