methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate

C15H27N3O3 — CID 104678633

IUPACmethyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CC2(CN)CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-21-14(20)17-12-5-8-18(10-12)13(19)9-15(11-16)6-3-2-4-7-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyYANFDORCODUEKJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.24
Rot. Bonds4

About methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate

methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate (PubChem CID 104678633) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate
PubChem CID104678633
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CC2(CN)CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-21-14(20)17-12-5-8-18(10-12)13(19)9-15(11-16)6-3-2-4-7-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyYANFDORCODUEKJ-UHFFFAOYSA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
2-[1-(aminomethyl)cyclohexyl]-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 104678657
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
CID 104678660
2-[1-(aminomethyl)cyclohexyl]-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 103533215
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate (CID 104678633) is methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)CC2(CN)CCCCC2)C1.
What is the InChIKey of methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate?
The InChIKey is YANFDORCODUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-21-14(20)17-12-5-8-18(10-12)13(19)9-15(11-16)6-3-2-4-7-15/h12H,2-11,16H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate?
methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 104678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).