N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide

C11H23N3O2 — CID 119997509

IUPACN-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
SMILESCC(CN)CNC(=O)CCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-9(7-12)8-13-10(15)5-4-6-11(16)14(2)3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyFZMVWIHTTWUKHE-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.04
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide

N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide (PubChem CID 119997509) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
PubChem CID119997509
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
SMILESCC(CN)CNC(=O)CCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-9(7-12)8-13-10(15)5-4-6-11(16)14(2)3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyFZMVWIHTTWUKHE-UHFFFAOYSA-N
XLogP-0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119995373
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
CID 115271802
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
N-(3-amino-2-methylpropyl)-4-(4-bromothiophen-2-yl)butanamide
CID 115271782

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide (CID 119997509) is N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide is CC(CN)CNC(=O)CCCC(=O)N(C)C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide?
The InChIKey is FZMVWIHTTWUKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(7-12)8-13-10(15)5-4-6-11(16)14(2)3/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide?
N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide has a molecular weight of 229.32 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide is sourced from PubChem (CID 119997509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).