N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide

C13H26N2O — CID 95159056

IUPACN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)C1CCC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-12(9-15(3)4)14-13(16)11-6-5-7-11/h10-12H,5-9H2,1-4H3,(H,14,16)/t12-/m0/s1
InChIKeySBHTZQALICIJJA-LBPRGKRZSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds6

About N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide

N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide (PubChem CID 95159056) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
PubChem CID95159056
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)C1CCC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-12(9-15(3)4)14-13(16)11-6-5-7-11/h10-12H,5-9H2,1-4H3,(H,14,16)/t12-/m0/s1
InChIKeySBHTZQALICIJJA-LBPRGKRZSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
CID 60559363
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 62782922

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide (CID 95159056) is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide is CC(C)C[C@@H](CN(C)C)NC(=O)C1CCC1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide?
The InChIKey is SBHTZQALICIJJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-12(9-15(3)4)14-13(16)11-6-5-7-11/h10-12H,5-9H2,1-4H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide?
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 95159056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).