2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide

C30H64N6O2 — CID 146653798

IUPAC2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide
SMILESCCCCCCCCCCC(N)C(=O)NCCN(CCN)CCNC(=O)C(N)CCCCCCCCCC
InChIInChI=1S/C30H64N6O2/c1-3-5-7-9-11-13-15-17-19-27(32)29(37)34-22-25-36(24-21-31)26-23-35-30(38)28(33)20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,31-33H2,1-2H3,(H,34,37)(H,35,38)
InChIKeySQHAKHBYOPCJDW-UHFFFAOYSA-N
MW540.88 g/mol
LogP4.20
Rot. Bonds28

About 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide

2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide (PubChem CID 146653798) has the molecular formula C30H64N6O2 and a molecular weight of 540.88 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide
PubChem CID146653798
Molecular FormulaC30H64N6O2
Molecular Weight540.88 g/mol
Exact Mass540.51
IUPAC Name2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide
SMILESCCCCCCCCCCC(N)C(=O)NCCN(CCN)CCNC(=O)C(N)CCCCCCCCCC
InChIInChI=1S/C30H64N6O2/c1-3-5-7-9-11-13-15-17-19-27(32)29(37)34-22-25-36(24-21-31)26-23-35-30(38)28(33)20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,31-33H2,1-2H3,(H,34,37)(H,35,38)
InChIKeySQHAKHBYOPCJDW-UHFFFAOYSA-N
XLogP4.20
TPSA139.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.88
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
N'-(4-aminobutyl)-N-(2-aminoethyl)-N'-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(propylamino)ethyl]amino]ethyl]-N-propylpentane-1,5-diamine;2-amino-N-methylheptanamide
CID 162075325
2-amino-N-hexylhexanamide
CID 60852762
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
N,N-bis[3-[[(2S)-2,6-diaminohexanoyl]amino]propyl]octanamide
CID 129148802
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-N'-[2-[bis(2-aminoethyl)amino]ethyl]-2-tetradecylpropanediamide
CID 102434568
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)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide?
The IUPAC name of 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide (CID 146653798) is 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide.
What is the SMILES notation for 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide?
The canonical SMILES for 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide is CCCCCCCCCCC(N)C(=O)NCCN(CCN)CCNC(=O)C(N)CCCCCCCCCC.
What is the InChIKey of 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide?
The InChIKey is SQHAKHBYOPCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N6O2/c1-3-5-7-9-11-13-15-17-19-27(32)29(37)34-22-25-36(24-21-31)26-23-35-30(38)28(33)20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,31-33H2,1-2H3,(H,34,37)(H,35,38).
What are the key properties of 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide?
2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide has a molecular weight of 540.88 g/mol, XLogP of 4.20, 28 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide is sourced from PubChem (CID 146653798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).