4-amino-N,N',4-trimethylheptanediamide

C10H21N3O2 — CID 90077858

IUPAC4-amino-N,N',4-trimethylheptanediamide
SMILESCNC(=O)CCC(C)(N)CCC(=O)NC
InChIInChI=1S/C10H21N3O2/c1-10(11,6-4-8(14)12-2)7-5-9(15)13-3/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyVFPOREFDNSUBIO-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.24
Rot. Bonds6

About 4-amino-N,N',4-trimethylheptanediamide

4-amino-N,N',4-trimethylheptanediamide (PubChem CID 90077858) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-amino-N,N',4-trimethylheptanediamide.

Molecular Properties

Compound Name4-amino-N,N',4-trimethylheptanediamide
PubChem CID90077858
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-amino-N,N',4-trimethylheptanediamide
SMILESCNC(=O)CCC(C)(N)CCC(=O)NC
InChIInChI=1S/C10H21N3O2/c1-10(11,6-4-8(14)12-2)7-5-9(15)13-3/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyVFPOREFDNSUBIO-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane
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N,N'-dimethylheptanediamide
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N,7,7-trimethyl-6-oxooctanamide
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N,8,8-trimethyldecanamide
CID 89097634
N-methyl-3-sulfanylpropanamide
CID 642906
amino 4-(methylamino)-4-oxobutanoate
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3-(carbamoylamino)-N-methylpropanamide
CID 60667661
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N',4-trimethylheptanediamide?
The IUPAC name of 4-amino-N,N',4-trimethylheptanediamide (CID 90077858) is 4-amino-N,N',4-trimethylheptanediamide.
What is the SMILES notation for 4-amino-N,N',4-trimethylheptanediamide?
The canonical SMILES for 4-amino-N,N',4-trimethylheptanediamide is CNC(=O)CCC(C)(N)CCC(=O)NC.
What is the InChIKey of 4-amino-N,N',4-trimethylheptanediamide?
The InChIKey is VFPOREFDNSUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(11,6-4-8(14)12-2)7-5-9(15)13-3/h4-7,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 4-amino-N,N',4-trimethylheptanediamide?
4-amino-N,N',4-trimethylheptanediamide has a molecular weight of 215.30 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N',4-trimethylheptanediamide is sourced from PubChem (CID 90077858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).