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

C13H28N2O2 — CID 43588483

IUPAC2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1CCCCC1CN
InChIInChI=1S/C13H28N2O2/c1-16-9-7-15(8-10-17-2)13-6-4-3-5-12(13)11-14/h12-13H,3-11,14H2,1-2H3
InChIKeyUCTNGFFUORETFA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds8

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

2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 43588483) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
PubChem CID43588483
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1CCCCC1CN
InChIInChI=1S/C13H28N2O2/c1-16-9-7-15(8-10-17-2)13-6-4-3-5-12(13)11-14/h12-13H,3-11,14H2,1-2H3
InChIKeyUCTNGFFUORETFA-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
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)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine (CID 43588483) is 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine is COCCN(CCOC)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is UCTNGFFUORETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-16-9-7-15(8-10-17-2)13-6-4-3-5-12(13)11-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 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)cyclohexan-1-amine is sourced from PubChem (CID 43588483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).