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

C16H26N2O2 — CID 115435030

IUPAC1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc(CN(C(=O)C2(CN)CCCC2)C(C)C)o1
InChIInChI=1S/C16H26N2O2/c1-12(2)18(10-14-7-6-13(3)20-14)15(19)16(11-17)8-4-5-9-16/h6-7,12H,4-5,8-11,17H2,1-3H3
InChIKeyIUAPNJKCXJNSHA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.84
Rot. Bonds5

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

1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 115435030) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID115435030
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc(CN(C(=O)C2(CN)CCCC2)C(C)C)o1
InChIInChI=1S/C16H26N2O2/c1-12(2)18(10-14-7-6-13(3)20-14)15(19)16(11-17)8-4-5-9-16/h6-7,12H,4-5,8-11,17H2,1-3H3
InChIKeyIUAPNJKCXJNSHA-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 104596462
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 64890963
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974664
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 55856105
4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 79511403
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide (CID 115435030) is 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide is Cc1ccc(CN(C(=O)C2(CN)CCCC2)C(C)C)o1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is IUAPNJKCXJNSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18(10-14-7-6-13(3)20-14)15(19)16(11-17)8-4-5-9-16/h6-7,12H,4-5,8-11,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 115435030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).