N-(2,5-diaminopentyl)-2-methylpropanamide

C9H21N3O — CID 147648590

IUPACN-(2,5-diaminopentyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC(N)CCCN
InChIInChI=1S/C9H21N3O/c1-7(2)9(13)12-6-8(11)4-3-5-10/h7-8H,3-6,10-11H2,1-2H3,(H,12,13)
InChIKeyGJBADQZGPLHJIJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.18
Rot. Bonds6

About N-(2,5-diaminopentyl)-2-methylpropanamide

N-(2,5-diaminopentyl)-2-methylpropanamide (PubChem CID 147648590) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(2,5-diaminopentyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,5-diaminopentyl)-2-methylpropanamide
PubChem CID147648590
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-(2,5-diaminopentyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC(N)CCCN
InChIInChI=1S/C9H21N3O/c1-7(2)9(13)12-6-8(11)4-3-5-10/h7-8H,3-6,10-11H2,1-2H3,(H,12,13)
InChIKeyGJBADQZGPLHJIJ-UHFFFAOYSA-N
XLogP-0.18
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,5-diaminopentyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2,5-diaminopentyl]acetamide
CID 137385208
N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide
CID 156664171
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
N-(aminomethyl)-2-methylpropanamide
CID 88582106

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diaminopentyl)-2-methylpropanamide?
The IUPAC name of N-(2,5-diaminopentyl)-2-methylpropanamide (CID 147648590) is N-(2,5-diaminopentyl)-2-methylpropanamide.
What is the SMILES notation for N-(2,5-diaminopentyl)-2-methylpropanamide?
The canonical SMILES for N-(2,5-diaminopentyl)-2-methylpropanamide is CC(C)C(=O)NCC(N)CCCN.
What is the InChIKey of N-(2,5-diaminopentyl)-2-methylpropanamide?
The InChIKey is GJBADQZGPLHJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)9(13)12-6-8(11)4-3-5-10/h7-8H,3-6,10-11H2,1-2H3,(H,12,13).
What are the key properties of N-(2,5-diaminopentyl)-2-methylpropanamide?
N-(2,5-diaminopentyl)-2-methylpropanamide has a molecular weight of 187.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diaminopentyl)-2-methylpropanamide is sourced from PubChem (CID 147648590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).