1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine

C14H30N2O — CID 65088270

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine
SMILESCOCCN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)6-5-7-14(12-15,9-8-13)16(3)10-11-17-4/h5-12,15H2,1-4H3
InChIKeyZJYDJONTNMQANY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine (PubChem CID 65088270) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine
PubChem CID65088270
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine
SMILESCOCCN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)6-5-7-14(12-15,9-8-13)16(3)10-11-17-4/h5-12,15H2,1-4H3
InChIKeyZJYDJONTNMQANY-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine (CID 65088270) is 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine is COCCN(C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine?
The InChIKey is ZJYDJONTNMQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)6-5-7-14(12-15,9-8-13)16(3)10-11-17-4/h5-12,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N,4,4-trimethylcycloheptan-1-amine is sourced from PubChem (CID 65088270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).