N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C16H27N3O2 — CID 107385263

IUPACN-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(CCOCCOC)ncc21
InChIInChI=1S/C16H27N3O2/c1-3-17-14-6-4-5-7-15-13(14)12-18-16(19-15)8-9-21-11-10-20-2/h12,14,17H,3-11H2,1-2H3
InChIKeySAYSPWDHFDAZQE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.06
Rot. Bonds8

About N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385263) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385263
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(CCOCCOC)ncc21
InChIInChI=1S/C16H27N3O2/c1-3-17-14-6-4-5-7-15-13(14)12-18-16(19-15)8-9-21-11-10-20-2/h12,14,17H,3-11H2,1-2H3
InChIKeySAYSPWDHFDAZQE-UHFFFAOYSA-N
XLogP2.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 102928805
N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007510
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106815190
N-ethyl-2-(ethylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385270
2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385466
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384959
2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103150233
2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 102928806
2-[cyclopropyl(methoxy)methyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385373
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385263) is N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCNC1CCCCc2nc(CCOCCOC)ncc21.
What is the InChIKey of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is SAYSPWDHFDAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-14-6-4-5-7-15-13(14)12-18-16(19-15)8-9-21-11-10-20-2/h12,14,17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 293.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).