2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine

C20H30N4 — CID 143397339

IUPAC2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1nc(NCCCCCN2CCCCC2)c2c(n1)=CC=CCC=2
InChIInChI=1S/C20H30N4/c1-17-22-19-12-6-2-5-11-18(19)20(23-17)21-13-7-3-8-14-24-15-9-4-10-16-24/h2,6,11-12H,3-5,7-10,13-16H2,1H3,(H,21,22,23)
InChIKeyKZWOXAHQSZWURZ-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.37
Rot. Bonds7

About 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine

2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 143397339) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine
PubChem CID143397339
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1nc(NCCCCCN2CCCCC2)c2c(n1)=CC=CCC=2
InChIInChI=1S/C20H30N4/c1-17-22-19-12-6-2-5-11-18(19)20(23-17)21-13-7-3-8-14-24-15-9-4-10-16-24/h2,6,11-12H,3-5,7-10,13-16H2,1H3,(H,21,22,23)
InChIKeyKZWOXAHQSZWURZ-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
CID 123483519
(2E,4E)-5-[6-(2,9-diazaspiro[4.5]decan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b][1,4]diazepin-8-yl]-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 132038667
1-N-methyl-1-N-[7-(4-piperidin-1-ylcyclohepta-1,3-dien-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]butane-1,3-diamine
CID 132039074
N-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]propyl]-5,6-dihydro-3H-isoindol-1-amine
CID 141911172
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
4-(1-aminoethenyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;molecular hydrogen
CID 142583556
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-N-propan-2-yl-6H-cyclohepta[d]pyrimidin-4-amine;molecular hydrogen
CID 142924190
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane
CID 143396961
N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 143397811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine (CID 143397339) is 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine is Cc1nc(NCCCCCN2CCCCC2)c2c(n1)=CC=CCC=2.
What is the InChIKey of 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is KZWOXAHQSZWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-17-22-19-12-6-2-5-11-18(19)20(23-17)21-13-7-3-8-14-24-15-9-4-10-16-24/h2,6,11-12H,3-5,7-10,13-16H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine?
2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 326.49 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-piperidin-1-ylpentyl)-6H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 143397339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).