7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide

C10H21F2N3O — CID 122081032

IUPAC7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
SMILESNCCCCCCC(=O)NCC(F)(F)CN
InChIInChI=1S/C10H21F2N3O/c11-10(12,7-14)8-15-9(16)5-3-1-2-4-6-13/h1-8,13-14H2,(H,15,16)
InChIKeyKXIPHYSSZXZHKP-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.61
Rot. Bonds9

About 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide

7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide (PubChem CID 122081032) has the molecular formula C10H21F2N3O and a molecular weight of 237.29 g/mol. Its IUPAC name is 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
PubChem CID122081032
Molecular FormulaC10H21F2N3O
Molecular Weight237.29 g/mol
Exact Mass237.17
IUPAC Name7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
SMILESNCCCCCCC(=O)NCC(F)(F)CN
InChIInChI=1S/C10H21F2N3O/c11-10(12,7-14)8-15-9(16)5-3-1-2-4-6-13/h1-8,13-14H2,(H,15,16)
InChIKeyKXIPHYSSZXZHKP-UHFFFAOYSA-N
XLogP0.61
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.61
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

N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide
CID 119737403
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
CID 63865751
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide?
The IUPAC name of 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide (CID 122081032) is 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide is NCCCCCCC(=O)NCC(F)(F)CN.
What is the InChIKey of 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide?
The InChIKey is KXIPHYSSZXZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3O/c11-10(12,7-14)8-15-9(16)5-3-1-2-4-6-13/h1-8,13-14H2,(H,15,16).
What are the key properties of 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide?
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide has a molecular weight of 237.29 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide is sourced from PubChem (CID 122081032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).