4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine

C14H28N2O — CID 65379737

IUPAC4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
SMILESCC1CC(CN)(NC2CCCCCC2)CCO1
InChIInChI=1S/C14H28N2O/c1-12-10-14(11-15,8-9-17-12)16-13-6-4-2-3-5-7-13/h12-13,16H,2-11,15H2,1H3
InChIKeyFWGYUSFUEKOHSI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.20
Rot. Bonds3

About 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine

4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine (PubChem CID 65379737) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
PubChem CID65379737
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
SMILESCC1CC(CN)(NC2CCCCCC2)CCO1
InChIInChI=1S/C14H28N2O/c1-12-10-14(11-15,8-9-17-12)16-13-6-4-2-3-5-7-13/h12-13,16H,2-11,15H2,1H3
InChIKeyFWGYUSFUEKOHSI-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine (CID 65379737) is 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine is CC1CC(CN)(NC2CCCCCC2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine?
The InChIKey is FWGYUSFUEKOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-10-14(11-15,8-9-17-12)16-13-6-4-2-3-5-7-13/h12-13,16H,2-11,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine?
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine is sourced from PubChem (CID 65379737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).