(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide

C14H29N3O — CID 114084712

IUPAC(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C14H29N3O/c1-10(2)6-12(9-17(4)5)16-14(18)13-8-15-7-11(13)3/h10-13,15H,6-9H2,1-5H3,(H,16,18)/t11-,12?,13-/m1/s1
InChIKeyRTSFHXRADZTQRY-LKOMHFJYSA-N
MW255.41 g/mol
LogP0.93
Rot. Bonds6

About (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114084712) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114084712
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C14H29N3O/c1-10(2)6-12(9-17(4)5)16-14(18)13-8-15-7-11(13)3/h10-13,15H,6-9H2,1-5H3,(H,16,18)/t11-,12?,13-/m1/s1
InChIKeyRTSFHXRADZTQRY-LKOMHFJYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119855874
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide (CID 114084712) is (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide is CC(C)CC(CN(C)C)NC(=O)[C@@H]1CNC[C@H]1C.
What is the InChIKey of (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is RTSFHXRADZTQRY-LKOMHFJYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)6-12(9-17(4)5)16-14(18)13-8-15-7-11(13)3/h10-13,15H,6-9H2,1-5H3,(H,16,18)/t11-,12?,13-/m1/s1.
What are the key properties of (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).