N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine

C15H27N5 — CID 63351901

IUPACN,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine
SMILESCCN(CC)CCc1nc2c(c(NN)n1)CCCCC2
InChIInChI=1S/C15H27N5/c1-3-20(4-2)11-10-14-17-13-9-7-5-6-8-12(13)15(18-14)19-16/h3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyBHESFKDNVSPIHL-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.92
Rot. Bonds6

About N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine

N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine (PubChem CID 63351901) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine
PubChem CID63351901
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine
SMILESCCN(CC)CCc1nc2c(c(NN)n1)CCCCC2
InChIInChI=1S/C15H27N5/c1-3-20(4-2)11-10-14-17-13-9-7-5-6-8-12(13)15(18-14)19-16/h3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyBHESFKDNVSPIHL-UHFFFAOYSA-N
XLogP1.92
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191757
2-[2-(dimethylamino)ethyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115347019
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
[2-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62596851
[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 65137980
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
CID 62314525
[2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351433
[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 55120817
[2-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351692
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine (CID 63351901) is N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine is CCN(CC)CCc1nc2c(c(NN)n1)CCCCC2.
What is the InChIKey of N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine?
The InChIKey is BHESFKDNVSPIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-20(4-2)11-10-14-17-13-9-7-5-6-8-12(13)15(18-14)19-16/h3-11,16H2,1-2H3,(H,17,18,19).
What are the key properties of N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine?
N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine has a molecular weight of 277.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 63351901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).