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

C12H26ClN3O2 — CID 119630025

IUPACN'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C12H25N3O2.ClH/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);1H
InChIKeyHATWBUNMZOAVKY-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.96
Rot. Bonds8

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

N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride (PubChem CID 119630025) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
PubChem CID119630025
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC NameN'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C12H25N3O2.ClH/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);1H
InChIKeyHATWBUNMZOAVKY-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
N,N'-dipropyldecanediamide
CID 102239298
N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride
CID 119630726
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
ethane;N-propylheptanamide
CID 145289188
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
12-oxo-N-propyltridecanamide
CID 135223938
4-(ethylamino)-N-propylbutanamide
CID 168958611
sodium;hydride;N-propyldodecanamide
CID 172999662
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride?
The IUPAC name of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride (CID 119630025) is N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride.
What is the SMILES notation for N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride?
The canonical SMILES for N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride is CCCNC(=O)CCCC(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride?
The InChIKey is HATWBUNMZOAVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/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);1H.
What are the key properties of N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride?
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.96, 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;hydrochloride is sourced from PubChem (CID 119630025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).