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

C16H26N2O2 — CID 104678002

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
SMILESCc1occc1CN(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H26N2O2/c1-13-14(6-9-20-13)11-18(2)15(19)10-16(12-17)7-4-3-5-8-16/h6,9H,3-5,7-8,10-12,17H2,1-2H3
InChIKeyCDOGKXJDAVAZAP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.85
Rot. Bonds5

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

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide (PubChem CID 104678002) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
PubChem CID104678002
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
SMILESCc1occc1CN(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H26N2O2/c1-13-14(6-9-20-13)11-18(2)15(19)10-16(12-17)7-4-3-5-8-16/h6,9H,3-5,7-8,10-12,17H2,1-2H3
InChIKeyCDOGKXJDAVAZAP-UHFFFAOYSA-N
XLogP2.85
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide (CID 104678002) is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide is Cc1occc1CN(C)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
The InChIKey is CDOGKXJDAVAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-14(6-9-20-13)11-18(2)15(19)10-16(12-17)7-4-3-5-8-16/h6,9H,3-5,7-8,10-12,17H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide is sourced from PubChem (CID 104678002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).