2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide

C14H30N4O — CID 61274483

IUPAC2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC(C)C(N)C(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-11(2)12(15)13(19)16-10-14(3,4)18-8-6-17(5)7-9-18/h11-12H,6-10,15H2,1-5H3,(H,16,19)
InChIKeyLXFVVVJRSDWROA-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide

2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide (PubChem CID 61274483) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
PubChem CID61274483
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC(C)C(N)C(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-11(2)12(15)13(19)16-10-14(3,4)18-8-6-17(5)7-9-18/h11-12H,6-10,15H2,1-5H3,(H,16,19)
InChIKeyLXFVVVJRSDWROA-UHFFFAOYSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
5-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 82012149
3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 64677799
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]propanoic acid
CID 66173896
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
2-(1-aminocyclopentyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64677798
3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 81086850
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide (CID 61274483) is 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide is CC(C)C(N)C(=O)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
The InChIKey is LXFVVVJRSDWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(2)12(15)13(19)16-10-14(3,4)18-8-6-17(5)7-9-18/h11-12H,6-10,15H2,1-5H3,(H,16,19).
What are the key properties of 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 61274483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).