2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine

C14H24N2O — CID 61421775

IUPAC2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
SMILESCN(Cc1ccoc1)C1CCCCCC1CN
InChIInChI=1S/C14H24N2O/c1-16(10-12-7-8-17-11-12)14-6-4-2-3-5-13(14)9-15/h7-8,11,13-14H,2-6,9-10,15H2,1H3
InChIKeyMSKFZCGVACHYOH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds4

About 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine

2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine (PubChem CID 61421775) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
PubChem CID61421775
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
SMILESCN(Cc1ccoc1)C1CCCCCC1CN
InChIInChI=1S/C14H24N2O/c1-16(10-12-7-8-17-11-12)14-6-4-2-3-5-13(14)9-15/h7-8,11,13-14H,2-6,9-10,15H2,1H3
InChIKeyMSKFZCGVACHYOH-UHFFFAOYSA-N
XLogP2.62
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine (CID 61421775) is 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine is CN(Cc1ccoc1)C1CCCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine?
The InChIKey is MSKFZCGVACHYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16(10-12-7-8-17-11-12)14-6-4-2-3-5-13(14)9-15/h7-8,11,13-14H,2-6,9-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine?
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 61421775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).