7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide

C13H29N3O — CID 62642436

IUPAC7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
SMILESCC(C)N(C)CCNC(=O)CCCCCCN
InChIInChI=1S/C13H29N3O/c1-12(2)16(3)11-10-15-13(17)8-6-4-5-7-9-14/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyNGDDJQPYIKMCIW-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds10

About 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide

7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide (PubChem CID 62642436) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
PubChem CID62642436
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
SMILESCC(C)N(C)CCNC(=O)CCCCCCN
InChIInChI=1S/C13H29N3O/c1-12(2)16(3)11-10-15-13(17)8-6-4-5-7-9-14/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyNGDDJQPYIKMCIW-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
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

4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119874323
7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
CID 119866060
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide (CID 62642436) is 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide is CC(C)N(C)CCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide?
The InChIKey is NGDDJQPYIKMCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2)16(3)11-10-15-13(17)8-6-4-5-7-9-14/h12H,4-11,14H2,1-3H3,(H,15,17).
What are the key properties of 7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide?
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 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-[methyl(propan-2-yl)amino]ethyl]heptanamide is sourced from PubChem (CID 62642436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).