N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide

C16H33N3O — CID 86880597

IUPACN-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCC(C)C1)CC(C)C
InChIInChI=1S/C16H33N3O/c1-6-18(7-2)15(10-13(3)4)11-17-16(20)19-9-8-14(5)12-19/h13-15H,6-12H2,1-5H3,(H,17,20)
InChIKeyUBYHDSYTSOJSOW-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide

N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 86880597) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide
PubChem CID86880597
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCC(C)C1)CC(C)C
InChIInChI=1S/C16H33N3O/c1-6-18(7-2)15(10-13(3)4)11-17-16(20)19-9-8-14(5)12-19/h13-15H,6-12H2,1-5H3,(H,17,20)
InChIKeyUBYHDSYTSOJSOW-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94054508
N-[2-(diethylamino)-4-methylpentyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727409
N-[2-(diethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958943
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
4-amino-N-[2-(diethylamino)-4-methylpentyl]pentanamide
CID 120564481
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
N-(2-ethoxypropyl)-4-methylpiperidine-1-carboxamide
CID 115667465
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-carboxamide
CID 106115923

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide (CID 86880597) is N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide is CCN(CC)C(CNC(=O)N1CCC(C)C1)CC(C)C.
What is the InChIKey of N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is UBYHDSYTSOJSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-18(7-2)15(10-13(3)4)11-17-16(20)19-9-8-14(5)12-19/h13-15H,6-12H2,1-5H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide?
N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylpentyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86880597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).