7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide

C14H24N2O2 — CID 61426506

IUPAC7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
SMILESCc1occc1CN(C)C(=O)CCCCCCN
InChIInChI=1S/C14H24N2O2/c1-12-13(8-10-18-12)11-16(2)14(17)7-5-3-4-6-9-15/h8,10H,3-7,9,11,15H2,1-2H3
InChIKeyMQDHNGZCUWQCJK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.46
Rot. Bonds8

About 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide

7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide (PubChem CID 61426506) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
PubChem CID61426506
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
SMILESCc1occc1CN(C)C(=O)CCCCCCN
InChIInChI=1S/C14H24N2O2/c1-12-13(8-10-18-12)11-16(2)14(17)7-5-3-4-6-9-15/h8,10H,3-7,9,11,15H2,1-2H3
InChIKeyMQDHNGZCUWQCJK-UHFFFAOYSA-N
XLogP2.46
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(methylamino)-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426651
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
CID 54952619
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide (CID 61426506) is 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide is Cc1occc1CN(C)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide?
The InChIKey is MQDHNGZCUWQCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-13(8-10-18-12)11-16(2)14(17)7-5-3-4-6-9-15/h8,10H,3-7,9,11,15H2,1-2H3.
What are the key properties of 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide?
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide has a molecular weight of 252.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide is sourced from PubChem (CID 61426506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).