N'-(2-amino-2-methylpropyl)-N-propylpentanediamide

C12H25N3O2 — CID 119630026

IUPACN'-(2-amino-2-methylpropyl)-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)NCC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-4-8-14-10(16)6-5-7-11(17)15-9-12(2,3)13/h4-9,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGHIQBAWHAPARJC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.54
Rot. Bonds8

About N'-(2-amino-2-methylpropyl)-N-propylpentanediamide

N'-(2-amino-2-methylpropyl)-N-propylpentanediamide (PubChem CID 119630026) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-(2-amino-2-methylpropyl)-N-propylpentanediamide.

Molecular Properties

Compound NameN'-(2-amino-2-methylpropyl)-N-propylpentanediamide
PubChem CID119630026
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-(2-amino-2-methylpropyl)-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)NCC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-4-8-14-10(16)6-5-7-11(17)15-9-12(2,3)13/h4-9,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGHIQBAWHAPARJC-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
N,N'-dipropyldecanediamide
CID 102239298
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride
CID 119630726
ethane;N-propylheptanamide
CID 145289188
sodium;hydride;N-propyldodecanamide
CID 172999662
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
12-oxo-N-propyltridecanamide
CID 135223938
4-(ethylamino)-N-propylbutanamide
CID 168958611
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
methanethiol;molecular hydrogen;5-oxo-N-propylhexanamide
CID 178099887

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide?
The IUPAC name of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide (CID 119630026) is N'-(2-amino-2-methylpropyl)-N-propylpentanediamide.
What is the SMILES notation for N'-(2-amino-2-methylpropyl)-N-propylpentanediamide?
The canonical SMILES for N'-(2-amino-2-methylpropyl)-N-propylpentanediamide is CCCNC(=O)CCCC(=O)NCC(C)(C)N.
What is the InChIKey of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide?
The InChIKey is GHIQBAWHAPARJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-8-14-10(16)6-5-7-11(17)15-9-12(2,3)13/h4-9,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide?
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide has a molecular weight of 243.35 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-methylpropyl)-N-propylpentanediamide is sourced from PubChem (CID 119630026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).