1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide

C14H25N3O2 — CID 104677512

IUPAC1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
SMILESNCC1(CC(=O)N2CCCC2C(N)=O)CCCCC1
InChIInChI=1S/C14H25N3O2/c15-10-14(6-2-1-3-7-14)9-12(18)17-8-4-5-11(17)13(16)19/h11H,1-10,15H2,(H2,16,19)
InChIKeySJVONNNRIYAKLO-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.76
Rot. Bonds4

About 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide

1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 104677512) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
PubChem CID104677512
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
SMILESNCC1(CC(=O)N2CCCC2C(N)=O)CCCCC1
InChIInChI=1S/C14H25N3O2/c15-10-14(6-2-1-3-7-14)9-12(18)17-8-4-5-11(17)13(16)19/h11H,1-10,15H2,(H2,16,19)
InChIKeySJVONNNRIYAKLO-UHFFFAOYSA-N
XLogP0.76
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide (CID 104677512) is 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide is NCC1(CC(=O)N2CCCC2C(N)=O)CCCCC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is SJVONNNRIYAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-10-14(6-2-1-3-7-14)9-12(18)17-8-4-5-11(17)13(16)19/h11H,1-10,15H2,(H2,16,19).
What are the key properties of 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide?
1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104677512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).