2,6-diamino-N-methylhexanamide;ethane

C11H29N3O — CID 142474602

IUPAC2,6-diamino-N-methylhexanamide;ethane
SMILESCC.CC.CNC(=O)C(N)CCCCN
InChIInChI=1S/C7H17N3O.2C2H6/c1-10-7(11)6(9)4-2-3-5-8;2*1-2/h6H,2-5,8-9H2,1H3,(H,10,11);2*1-2H3
InChIKeySYFSOCQVMOQCMH-UHFFFAOYSA-N
MW219.37 g/mol
LogP1.24
Rot. Bonds5

About 2,6-diamino-N-methylhexanamide;ethane

2,6-diamino-N-methylhexanamide;ethane (PubChem CID 142474602) has the molecular formula C11H29N3O and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,6-diamino-N-methylhexanamide;ethane.

Molecular Properties

Compound Name2,6-diamino-N-methylhexanamide;ethane
PubChem CID142474602
Molecular FormulaC11H29N3O
Molecular Weight219.37 g/mol
Exact Mass219.23
IUPAC Name2,6-diamino-N-methylhexanamide;ethane
SMILESCC.CC.CNC(=O)C(N)CCCCN
InChIInChI=1S/C7H17N3O.2C2H6/c1-10-7(11)6(9)4-2-3-5-8;2*1-2/h6H,2-5,8-9H2,1H3,(H,10,11);2*1-2H3
InChIKeySYFSOCQVMOQCMH-UHFFFAOYSA-N
XLogP1.24
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-amino-5-hydroxy-N-methylpentanamide;ethane
CID 155713743
2-amino-N-methyltetradecanamide
CID 88912425
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114
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
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971
(2S)-2,6-diamino-N-[(3S)-2-methyl-4-oxopentan-3-yl]hexanamide
CID 87068756
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
CID 54521285

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-methylhexanamide;ethane?
The IUPAC name of 2,6-diamino-N-methylhexanamide;ethane (CID 142474602) is 2,6-diamino-N-methylhexanamide;ethane.
What is the SMILES notation for 2,6-diamino-N-methylhexanamide;ethane?
The canonical SMILES for 2,6-diamino-N-methylhexanamide;ethane is CC.CC.CNC(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-N-methylhexanamide;ethane?
The InChIKey is SYFSOCQVMOQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O.2C2H6/c1-10-7(11)6(9)4-2-3-5-8;2*1-2/h6H,2-5,8-9H2,1H3,(H,10,11);2*1-2H3.
What are the key properties of 2,6-diamino-N-methylhexanamide;ethane?
2,6-diamino-N-methylhexanamide;ethane has a molecular weight of 219.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-methylhexanamide;ethane is sourced from PubChem (CID 142474602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).