2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide

C16H29N3O — CID 104678068

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
SMILESNCC1(CC(=O)NC2CCN(C3CC3)C2)CCCCC1
InChIInChI=1S/C16H29N3O/c17-12-16(7-2-1-3-8-16)10-15(20)18-13-6-9-19(11-13)14-4-5-14/h13-14H,1-12,17H2,(H,18,20)
InChIKeyAKMRGTDMCYMGDV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide (PubChem CID 104678068) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
PubChem CID104678068
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
SMILESNCC1(CC(=O)NC2CCN(C3CC3)C2)CCCCC1
InChIInChI=1S/C16H29N3O/c17-12-16(7-2-1-3-8-16)10-15(20)18-13-6-9-19(11-13)14-4-5-14/h13-14H,1-12,17H2,(H,18,20)
InChIKeyAKMRGTDMCYMGDV-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
N-(1-cyclopropylpyrrolidin-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242656
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate
CID 104678633
[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
CID 81419732
2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 104844467

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide (CID 104678068) is 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide is NCC1(CC(=O)NC2CCN(C3CC3)C2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide?
The InChIKey is AKMRGTDMCYMGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c17-12-16(7-2-1-3-8-16)10-15(20)18-13-6-9-19(11-13)14-4-5-14/h13-14H,1-12,17H2,(H,18,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 104678068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).