3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide

C12H26N2O — CID 102905862

IUPAC3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(N)CC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)11(9(3)4)7-14-12(15)6-10(5)13/h8-11H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyNTNJNSOQXKPXSW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.77
Rot. Bonds6

About 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide

3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide (PubChem CID 102905862) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
PubChem CID102905862
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(N)CC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)11(9(3)4)7-14-12(15)6-10(5)13/h8-11H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyNTNJNSOQXKPXSW-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
CID 102905922
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
methyl 2-(3-aminobutanoylamino)acetate
CID 60914832
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
3-amino-N-(2-methylsulfanylethyl)butanamide
CID 63957777
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The IUPAC name of 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide (CID 102905862) is 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The canonical SMILES for 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide is CC(N)CC(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The InChIKey is NTNJNSOQXKPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-8(2)11(9(3)4)7-14-12(15)6-10(5)13/h8-11H,6-7,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide is sourced from PubChem (CID 102905862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).