N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine

C14H24N4O — CID 83030077

IUPACN-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCOCCNCCNc1ncnc2c1CCCCC2
InChIInChI=1S/C14H24N4O/c1-19-10-9-15-7-8-16-14-12-5-3-2-4-6-13(12)17-11-18-14/h11,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyMAGVKXUZDIKUNC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.39
Rot. Bonds7

About N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 83030077) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID83030077
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCOCCNCCNc1ncnc2c1CCCCC2
InChIInChI=1S/C14H24N4O/c1-19-10-9-15-7-8-16-14-12-5-3-2-4-6-13(12)17-11-18-14/h11,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyMAGVKXUZDIKUNC-UHFFFAOYSA-N
XLogP1.39
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine (CID 83030077) is N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine is COCCNCCNc1ncnc2c1CCCCC2.
What is the InChIKey of N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is MAGVKXUZDIKUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-19-10-9-15-7-8-16-14-12-5-3-2-4-6-13(12)17-11-18-14/h11,15H,2-10H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83030077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).