2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine

C12H26N2O2 — CID 61418287

IUPAC2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine
SMILESCOCCN(CCOC)C1CCCCC1N
InChIInChI=1S/C12H26N2O2/c1-15-9-7-14(8-10-16-2)12-6-4-3-5-11(12)13/h11-12H,3-10,13H2,1-2H3
InChIKeyPQDSBCPKDFMTAX-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds7

About 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine

2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine (PubChem CID 61418287) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine
PubChem CID61418287
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine
SMILESCOCCN(CCOC)C1CCCCC1N
InChIInChI=1S/C12H26N2O2/c1-15-9-7-14(8-10-16-2)12-6-4-3-5-11(12)13/h11-12H,3-10,13H2,1-2H3
InChIKeyPQDSBCPKDFMTAX-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine (CID 61418287) is 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine is COCCN(CCOC)C1CCCCC1N.
What is the InChIKey of 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
The InChIKey is PQDSBCPKDFMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-9-7-14(8-10-16-2)12-6-4-3-5-11(12)13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 61418287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).