4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine

C14H23N3 — CID 65086424

IUPAC4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(c2cncnc2)CC1
InChIInChI=1S/C14H23N3/c1-11(2)12-4-3-6-14(15,7-5-12)13-8-16-10-17-9-13/h8-12H,3-7,15H2,1-2H3
InChIKeyODYFXLUQDOLKKG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.87
Rot. Bonds2

About 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine

4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine (PubChem CID 65086424) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine
PubChem CID65086424
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(c2cncnc2)CC1
InChIInChI=1S/C14H23N3/c1-11(2)12-4-3-6-14(15,7-5-12)13-8-16-10-17-9-13/h8-12H,3-7,15H2,1-2H3
InChIKeyODYFXLUQDOLKKG-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086228
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583
1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450114
1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411290
1-(2,6-difluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 82819791
N-(4-propan-2-ylcyclohexyl)pyrimidin-5-amine
CID 107588222
1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65099403
4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 63411885
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1,4-di(propan-2-yl)cycloheptan-1-amine
CID 65086898
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086371

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine (CID 65086424) is 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(c2cncnc2)CC1.
What is the InChIKey of 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine?
The InChIKey is ODYFXLUQDOLKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)12-4-3-6-14(15,7-5-12)13-8-16-10-17-9-13/h8-12H,3-7,15H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine?
4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine is sourced from PubChem (CID 65086424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).