4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide

C13H27N3O2 — CID 81058816

IUPAC4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
SMILESCC(C)OCCN(C)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C13H27N3O2/c1-10(2)18-7-6-16(3)12(9-14)8-13(17)15-11-4-5-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyWHKHOBHXRHRTCU-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds9

About 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide

4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide (PubChem CID 81058816) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
PubChem CID81058816
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
SMILESCC(C)OCCN(C)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C13H27N3O2/c1-10(2)18-7-6-16(3)12(9-14)8-13(17)15-11-4-5-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyWHKHOBHXRHRTCU-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-3-[methyl(3-methylbutyl)amino]butanamide
CID 66430996
4-amino-N-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]butanamide
CID 66430186
4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide
CID 79478006
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
4-amino-N-cyclopropyl-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66431406
4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide
CID 66431207
4-amino-N-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432647
4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide
CID 82735649
N-cyclopropyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 60697253
2-[2-(2-aminoethoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 103482248
2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059317
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide (CID 81058816) is 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide is CC(C)OCCN(C)C(CN)CC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide?
The InChIKey is WHKHOBHXRHRTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)18-7-6-16(3)12(9-14)8-13(17)15-11-4-5-11/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide?
4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide is sourced from PubChem (CID 81058816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).