7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride

C12H29Cl2N3O — CID 119866060

IUPAC7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
SMILESCCN(C)CCNC(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-3-15(2)11-10-14-12(16)8-6-4-5-7-9-13;;/h3-11,13H2,1-2H3,(H,14,16);2*1H
InChIKeyCWBMOEHAEQEJRQ-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.81
Rot. Bonds10

About 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride

7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride (PubChem CID 119866060) has the molecular formula C12H29Cl2N3O and a molecular weight of 302.29 g/mol. Its IUPAC name is 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
PubChem CID119866060
Molecular FormulaC12H29Cl2N3O
Molecular Weight302.29 g/mol
Exact Mass301.17
IUPAC Name7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
SMILESCCN(C)CCNC(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-3-15(2)11-10-14-12(16)8-6-4-5-7-9-13;;/h3-11,13H2,1-2H3,(H,14,16);2*1H
InChIKeyCWBMOEHAEQEJRQ-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)butanamide
CID 62641683
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride (CID 119866060) is 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride is CCN(C)CCNC(=O)CCCCCCN.Cl.Cl.
What is the InChIKey of 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride?
The InChIKey is CWBMOEHAEQEJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O.2ClH/c1-3-15(2)11-10-14-12(16)8-6-4-5-7-9-13;;/h3-11,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride?
7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride has a molecular weight of 302.29 g/mol, XLogP of 1.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119866060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).