7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide

C14H31N3O — CID 24701938

IUPAC7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCCCCCN
InChIInChI=1S/C14H31N3O/c1-14(2,12-17(3)4)11-16-13(18)9-7-5-6-8-10-15/h5-12,15H2,1-4H3,(H,16,18)
InChIKeyVYZFRIKGZYZZTE-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds10

About 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide

7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide (PubChem CID 24701938) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
PubChem CID24701938
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCCCCCN
InChIInChI=1S/C14H31N3O/c1-14(2,12-17(3)4)11-16-13(18)9-7-5-6-8-10-15/h5-12,15H2,1-4H3,(H,16,18)
InChIKeyVYZFRIKGZYZZTE-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.60
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

6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate
CID 60707003
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
4-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]butanamide
CID 112792876

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide (CID 24701938) is 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide is CN(C)CC(C)(C)CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide?
The InChIKey is VYZFRIKGZYZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-14(2,12-17(3)4)11-16-13(18)9-7-5-6-8-10-15/h5-12,15H2,1-4H3,(H,16,18).
What are the key properties of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide?
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide is sourced from PubChem (CID 24701938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).