N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C15H22ClN3 — CID 114632152

IUPACN-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCC1(C)C(Cl)CC1Nc1ncnc2c1CCCCC2
InChIInChI=1S/C15H22ClN3/c1-15(2)12(16)8-13(15)19-14-10-6-4-3-5-7-11(10)17-9-18-14/h9,12-13H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyBGOIIZWXBSGFFB-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.56
Rot. Bonds2

About N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 114632152) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID114632152
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCC1(C)C(Cl)CC1Nc1ncnc2c1CCCCC2
InChIInChI=1S/C15H22ClN3/c1-15(2)12(16)8-13(15)19-14-10-6-4-3-5-7-11(10)17-9-18-14/h9,12-13H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyBGOIIZWXBSGFFB-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65029507
N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82729364
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine
CID 106879069
N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103889241
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113239948
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
N-(3-chloro-2,2-dimethylcyclobutyl)-4,6-dimethylpyrimidin-2-amine
CID 114632026
N-(3-methylpentan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114174318
N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115701962

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 114632152) is N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CC1(C)C(Cl)CC1Nc1ncnc2c1CCCCC2.
What is the InChIKey of N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is BGOIIZWXBSGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-15(2)12(16)8-13(15)19-14-10-6-4-3-5-7-11(10)17-9-18-14/h9,12-13H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 114632152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).