2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine

C14H30N2O2 — CID 43588484

IUPAC2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
SMILESCOCCN(CCOC)C1CCCCCC1CN
InChIInChI=1S/C14H30N2O2/c1-17-10-8-16(9-11-18-2)14-7-5-3-4-6-13(14)12-15/h13-14H,3-12,15H2,1-2H3
InChIKeyKTFXNUYQACKLBF-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.49
Rot. Bonds8

About 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine

2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine (PubChem CID 43588484) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
PubChem CID43588484
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
SMILESCOCCN(CCOC)C1CCCCCC1CN
InChIInChI=1S/C14H30N2O2/c1-17-10-8-16(9-11-18-2)14-7-5-3-4-6-13(14)12-15/h13-14H,3-12,15H2,1-2H3
InChIKeyKTFXNUYQACKLBF-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
The IUPAC name of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine (CID 43588484) is 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine is COCCN(CCOC)C1CCCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
The InChIKey is KTFXNUYQACKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-17-10-8-16(9-11-18-2)14-7-5-3-4-6-13(14)12-15/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 43588484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).