2-amino-3-methyl-N-propylbutanamide;ethane

C10H24N2O — CID 143224871

IUPAC2-amino-3-methyl-N-propylbutanamide;ethane
SMILESCC.CCCNC(=O)C(N)C(C)C
InChIInChI=1S/C8H18N2O.C2H6/c1-4-5-10-8(11)7(9)6(2)3;1-2/h6-7H,4-5,9H2,1-3H3,(H,10,11);1-2H3
InChIKeyDIJYAWJLXHECJD-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-3-methyl-N-propylbutanamide;ethane

2-amino-3-methyl-N-propylbutanamide;ethane (PubChem CID 143224871) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-propylbutanamide;ethane.

Molecular Properties

Compound Name2-amino-3-methyl-N-propylbutanamide;ethane
PubChem CID143224871
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-amino-3-methyl-N-propylbutanamide;ethane
SMILESCC.CCCNC(=O)C(N)C(C)C
InChIInChI=1S/C8H18N2O.C2H6/c1-4-5-10-8(11)7(9)6(2)3;1-2/h6-7H,4-5,9H2,1-3H3,(H,10,11);1-2H3
InChIKeyDIJYAWJLXHECJD-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
CID 103796232
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten
CID 163384720
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-propylbutanamide;ethane?
The IUPAC name of 2-amino-3-methyl-N-propylbutanamide;ethane (CID 143224871) is 2-amino-3-methyl-N-propylbutanamide;ethane.
What is the SMILES notation for 2-amino-3-methyl-N-propylbutanamide;ethane?
The canonical SMILES for 2-amino-3-methyl-N-propylbutanamide;ethane is CC.CCCNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-propylbutanamide;ethane?
The InChIKey is DIJYAWJLXHECJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-4-5-10-8(11)7(9)6(2)3;1-2/h6-7H,4-5,9H2,1-3H3,(H,10,11);1-2H3.
What are the key properties of 2-amino-3-methyl-N-propylbutanamide;ethane?
2-amino-3-methyl-N-propylbutanamide;ethane has a molecular weight of 188.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-propylbutanamide;ethane is sourced from PubChem (CID 143224871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).