4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide

C17H28N2O2 — CID 79511403

IUPAC4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCC(CN)CC2)C(C)C)o1
InChIInChI=1S/C17H28N2O2/c1-12(2)19(11-16-9-4-13(3)21-16)17(20)15-7-5-14(10-18)6-8-15/h4,9,12,14-15H,5-8,10-11,18H2,1-3H3
InChIKeyYOTGUJWFRDYXHU-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.09
Rot. Bonds5

About 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 79511403) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID79511403
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCC(CN)CC2)C(C)C)o1
InChIInChI=1S/C17H28N2O2/c1-12(2)19(11-16-9-4-13(3)21-16)17(20)15-7-5-14(10-18)6-8-15/h4,9,12,14-15H,5-8,10-11,18H2,1-3H3
InChIKeyYOTGUJWFRDYXHU-UHFFFAOYSA-N
XLogP3.09
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide (CID 79511403) is 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide is Cc1ccc(CN(C(=O)C2CCC(CN)CC2)C(C)C)o1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is YOTGUJWFRDYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)19(11-16-9-4-13(3)21-16)17(20)15-7-5-14(10-18)6-8-15/h4,9,12,14-15H,5-8,10-11,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 79511403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).