2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide

C14H29N3O — CID 113319941

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC1CC(CN)CN1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)17(11(3)4)14(18)9-16-8-13(7-15)6-12(16)5/h10-13H,6-9,15H2,1-5H3
InChIKeyLXXWZELMYHAPRQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 113319941) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID113319941
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC1CC(CN)CN1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)17(11(3)4)14(18)9-16-8-13(7-15)6-12(16)5/h10-13H,6-9,15H2,1-5H3
InChIKeyLXXWZELMYHAPRQ-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 115486348
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 113320028
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 115486274
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
CID 113320029
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 113319982
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81491532
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide
CID 113319950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 113319941) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC1CC(CN)CN1CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is LXXWZELMYHAPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)17(11(3)4)14(18)9-16-8-13(7-15)6-12(16)5/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 113319941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).