N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide

C14H29N3O — CID 91922784

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)6-7-14(18)15-13-10-17(5)9-12(13)8-16(3)4/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyMMJYZEXZZRKQPY-CHWSQXEVSA-N
MW255.41 g/mol
LogP1.03
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide (PubChem CID 91922784) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide
PubChem CID91922784
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)6-7-14(18)15-13-10-17(5)9-12(13)8-16(3)4/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyMMJYZEXZZRKQPY-CHWSQXEVSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide (CID 91922784) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide is CC(C)CCC(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide?
The InChIKey is MMJYZEXZZRKQPY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)6-7-14(18)15-13-10-17(5)9-12(13)8-16(3)4/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 91922784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).