N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C17H28N4 — CID 115328541

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3c2CCCCC3)CCCC1
InChIInChI=1S/C17H28N4/c1-21(2)17(10-6-7-11-17)12-18-16-14-8-4-3-5-9-15(14)19-13-20-16/h13H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyCGJKKFLTNHFOPY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 115328541) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID115328541
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3c2CCCCC3)CCCC1
InChIInChI=1S/C17H28N4/c1-21(2)17(10-6-7-11-17)12-18-16-14-8-4-3-5-9-15(14)19-13-20-16/h13H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyCGJKKFLTNHFOPY-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 115328541) is N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CN(C)C1(CNc2ncnc3c2CCCCC3)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is CGJKKFLTNHFOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-21(2)17(10-6-7-11-17)12-18-16-14-8-4-3-5-9-15(14)19-13-20-16/h13H,3-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 115328541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).