N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide

C10H23N3O — CID 156664171

IUPACN-[(2R)-2,5-diaminopentyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@H](N)CCCN
InChIInChI=1S/C10H23N3O/c1-8(2)6-10(14)13-7-9(12)4-3-5-11/h8-9H,3-7,11-12H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyZPHQZKDOJWYLTF-SECBINFHSA-N
MW201.31 g/mol
LogP0.21
Rot. Bonds7

About N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide

N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide (PubChem CID 156664171) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2,5-diaminopentyl]-3-methylbutanamide
PubChem CID156664171
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN-[(2R)-2,5-diaminopentyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@H](N)CCCN
InChIInChI=1S/C10H23N3O/c1-8(2)6-10(14)13-7-9(12)4-3-5-11/h8-9H,3-7,11-12H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyZPHQZKDOJWYLTF-SECBINFHSA-N
XLogP0.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-diaminopentyl)-2-methylpropanamide
CID 147648590
N-[(2R)-2,5-diaminopentyl]acetamide
CID 137385208
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 104685574
N-(2-aminobutyl)-4-methylpentanamide
CID 63730752
N-[(2S)-2,5-diaminopentyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]acetamide
CID 158741850
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
methyl 2-bromo-3-(3-methylbutanoylamino)propanoate
CID 103492559

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide?
The IUPAC name of N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide (CID 156664171) is N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide is CC(C)CC(=O)NC[C@H](N)CCCN.
What is the InChIKey of N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide?
The InChIKey is ZPHQZKDOJWYLTF-SECBINFHSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)6-10(14)13-7-9(12)4-3-5-11/h8-9H,3-7,11-12H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide?
N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide is sourced from PubChem (CID 156664171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).