N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C16H26N4 — CID 63351687

IUPACN-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCNc1nc(N2CCCCC2)nc2c1CCCCC2
InChIInChI=1S/C16H26N4/c1-2-17-15-13-9-5-3-6-10-14(13)18-16(19-15)20-11-7-4-8-12-20/h2-12H2,1H3,(H,17,18,19)
InChIKeyBBOHOVZCUALOKI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.17
Rot. Bonds3

About N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63351687) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63351687
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCNc1nc(N2CCCCC2)nc2c1CCCCC2
InChIInChI=1S/C16H26N4/c1-2-17-15-13-9-5-3-6-10-14(13)18-16(19-15)20-11-7-4-8-12-20/h2-12H2,1H3,(H,17,18,19)
InChIKeyBBOHOVZCUALOKI-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde
CID 13073795
N-butyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 12602903
[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
CID 28908587
2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
CID 39358324
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 66298577
N-ethyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 55201490
2-[2-(dimethylamino)ethyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115347019
N-ethyl-2-(3-methylimidazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66116420
2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 71133473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63351687) is N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCNc1nc(N2CCCCC2)nc2c1CCCCC2.
What is the InChIKey of N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is BBOHOVZCUALOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-17-15-13-9-5-3-6-10-14(13)18-16(19-15)20-11-7-4-8-12-20/h2-12H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63351687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).