N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide

C15H29N3O — CID 62273730

IUPACN-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
SMILESCC(C)CCNC(=O)CN1CCCC1C1CCCN1
InChIInChI=1S/C15H29N3O/c1-12(2)7-9-17-15(19)11-18-10-4-6-14(18)13-5-3-8-16-13/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyVYAKOJBRICVPJP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds6

About N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide

N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 62273730) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
PubChem CID62273730
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
SMILESCC(C)CCNC(=O)CN1CCCC1C1CCCN1
InChIInChI=1S/C15H29N3O/c1-12(2)7-9-17-15(19)11-18-10-4-6-14(18)13-5-3-8-16-13/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyVYAKOJBRICVPJP-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275455
N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273739
N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63256782
methyl N-[2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetyl]carbamate
CID 55167806
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62325407
1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62275280
1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62273039
N-ethyl-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273210
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
CID 63989070
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide
CID 51260505
N-(cyclopenten-1-yl)-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62274435

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide (CID 62273730) is N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide is CC(C)CCNC(=O)CN1CCCC1C1CCCN1.
What is the InChIKey of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is VYAKOJBRICVPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)7-9-17-15(19)11-18-10-4-6-14(18)13-5-3-8-16-13/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62273730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).