4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide

C12H27N3O — CID 66429259

IUPAC4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
SMILESCNC(=O)CC(CN)N(CC(C)C)C(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)8-15(10(3)4)11(7-13)6-12(16)14-5/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyCBQDMNFGIWERIO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide

4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide (PubChem CID 66429259) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
PubChem CID66429259
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
SMILESCNC(=O)CC(CN)N(CC(C)C)C(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)8-15(10(3)4)11(7-13)6-12(16)14-5/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyCBQDMNFGIWERIO-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66431686
3-amino-2-[2-methylpropyl(propan-2-yl)amino]propan-1-ol
CID 104710922
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
3-[2-methylpropyl(propan-2-yl)amino]butanehydrazide
CID 63579651
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
3-methoxy-2-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 103226287
4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
CID 66427576
4-amino-N-methyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanamide
CID 66427575
4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
CID 79490448
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
The IUPAC name of 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide (CID 66429259) is 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
The canonical SMILES for 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide is CNC(=O)CC(CN)N(CC(C)C)C(C)C.
What is the InChIKey of 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
The InChIKey is CBQDMNFGIWERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)8-15(10(3)4)11(7-13)6-12(16)14-5/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 66429259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).