(2R)-2,6-diamino-N-dodecylhexanamide

C18H39N3O — CID 10663029

IUPAC(2R)-2,6-diamino-N-dodecylhexanamide
SMILESCCCCCCCCCCCCNC(=O)[C@H](N)CCCCN
InChIInChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(22)17(20)14-11-12-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyYKFORZPFABJQKU-QGZVFWFLSA-N
MW313.53 g/mol
LogP3.48
Rot. Bonds16

About (2R)-2,6-diamino-N-dodecylhexanamide

(2R)-2,6-diamino-N-dodecylhexanamide (PubChem CID 10663029) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-dodecylhexanamide.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-dodecylhexanamide
PubChem CID10663029
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Name(2R)-2,6-diamino-N-dodecylhexanamide
SMILESCCCCCCCCCCCCNC(=O)[C@H](N)CCCCN
InChIInChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(22)17(20)14-11-12-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyYKFORZPFABJQKU-QGZVFWFLSA-N
XLogP3.48
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.48
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-hexadecylhexanamide
CID 10595298
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
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
N,N-bis[3-[[(2S)-2,6-diaminohexanoyl]amino]propyl]octanamide
CID 129148802
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-N-dodecylhexanamide?
The IUPAC name of (2R)-2,6-diamino-N-dodecylhexanamide (CID 10663029) is (2R)-2,6-diamino-N-dodecylhexanamide.
What is the SMILES notation for (2R)-2,6-diamino-N-dodecylhexanamide?
The canonical SMILES for (2R)-2,6-diamino-N-dodecylhexanamide is CCCCCCCCCCCCNC(=O)[C@H](N)CCCCN.
What is the InChIKey of (2R)-2,6-diamino-N-dodecylhexanamide?
The InChIKey is YKFORZPFABJQKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(22)17(20)14-11-12-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2,6-diamino-N-dodecylhexanamide?
(2R)-2,6-diamino-N-dodecylhexanamide has a molecular weight of 313.53 g/mol, XLogP of 3.48, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-dodecylhexanamide is sourced from PubChem (CID 10663029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).